V022-5863 Screening compound: 3-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-(butan-2-yl)formamido)-N-[(oxolan-2-yl)methyl]propanamide

V022-5863 Screening compound: 3-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-(butan-2-yl)formamido)-N-[(oxolan-2-yl)methyl]propanamide
V022-5863 Screening compound: 3-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-(butan-2-yl)formamido)-N-[(oxolan-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-5863
3-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-(butan-2-yl)formamido)-N-[(oxolan-2-yl)methyl]propanamide

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

V022-5863

Molecular Formula

C27H37N5O4 (C27 H37 N5 O4)

Compound Name

3-(1-{5-benzyl-4-oxo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-(butan-2-yl)formamido)-N-[(oxolan-2-yl)methyl]propanamide

IUPAC name

3-(1-{5-benzyl-4-oxo-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-2-yl}-N-(butan-2-yl)formamido)-N-[(oxolan-2-yl)methyl]propanamide

SMILES

CCC(C)N(CCC(NCC1OCCC1)=O)C(c1nn(CCCN(Cc2ccccc2)C2=O)c2c1)=O

InChI

InChI=1S/C27H37N5O4/c1-3-20(2)31(15-12-25(33)28-18-22-11-7-16-36-22)26(34)23-17-24-27(35)30(13-8-14-32(24)29-23)19-21-9-5-4-6-10-21/h4-6,9-10,17,20,22H,3,7-8,11-16,18-19H2,1-2H3,(H,28,33)

InChI Key

SKAKYIHNBJLOSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19907508

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.818

Distribution Coefficient, logD

1.818

Water Solubility, LogSw

-2.38

Polar Surface Area

79.025

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

V022-5863 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with V022-5863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-5863?
Check Price and Availability of V022-5863, 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 V022-5863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-5863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-5863
  • 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 V022-5863 available by request