V027-6801 Screening compound: 1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}-N-(2-methoxyethyl)piperidine-2-carboxamide

V027-6801 Screening compound: 1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}-N-(2-methoxyethyl)piperidine-2-carboxamide
V027-6801 Screening compound: 1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}-N-(2-methoxyethyl)piperidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-6801
1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}-N-(2-methoxyethyl)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

V027-6801

Molecular Formula

C24H31N5O4 (C24 H31 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H31N5O4/c1-33-15-11-25-22(30)20-10-5-6-13-28(20)23(31)19-16-21-24(32)27(12-7-14-29(21)26-19)17-18-8-3-2-4-9-18/h2-4,8-9,16,20H,5-7,10-15,17H2,1H3,(H,25,30)/t20-/m0/s1

InChI Key

ZDQQXULQXSYNJA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19907314

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.146

Distribution Coefficient, logD

1.146

Water Solubility, LogSw

-2.11

Polar Surface Area

79.593

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V027-6801 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
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 V027-6801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-6801?
Check Price and Availability of V027-6801, 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 V027-6801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-6801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-6801
  • 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 V027-6801 available by request