V008-3492 Screening compound: 1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}-N-[(oxolan-2-yl)methyl]piperidine-2-carboxamide

V008-3492 Screening compound: 1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}-N-[(oxolan-2-yl)methyl]piperidine-2-carboxamide
V008-3492 Screening compound: 1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}-N-[(oxolan-2-yl)methyl]piperidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3492
1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}-N-[(oxolan-2-yl)methyl]piperidine-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V008-3492

Molecular Formula

C26H33N5O4 (C26 H33 N5 O4)

Compound Name

1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}-N-[(oxolan-2-yl)methyl]piperidine-2-carboxamide

IUPAC name

1-{5-benzyl-4-oxo-4H5H6H7H8H-pyrazolo[15-a][14]diazepine-2-carbonyl}-N-[(oxolan-2-yl)methyl]piperidine-2-carboxamide

SMILES

O=C(C(CCCC1)N1C(c1nn(CCCN(Cc2ccccc2)C2=O)c2c1)=O)NCC1OCCC1

InChI

InChI=1S/C26H33N5O4/c32-24(27-17-20-10-6-15-35-20)22-11-4-5-13-30(22)25(33)21-16-23-26(34)29(12-7-14-31(23)28-21)18-19-8-2-1-3-9-19/h1-3,8-9,16,20,22H,4-7,10-15,17-18H2,(H,27,32)

InChI Key

FEZFDBLEYRUWRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19907340

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.289

Distribution Coefficient, logD

1.289

Water Solubility, LogSw

-2.08

Polar Surface Area

79.792

Acid Dissociation Constant (pKa)

13.98

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.80

V008-3492 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with V008-3492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3492?
Check Price and Availability of V008-3492, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V008-3492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3492
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V008-3492 available by request