V022-4880 Screening compound: N~2~-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-5-benzyl-N~2~-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

V022-4880 Screening compound: N~2~-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-5-benzyl-N~2~-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
V022-4880 Screening compound: N~2~-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-5-benzyl-N~2~-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-4880
N~2~-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-5-benzyl-N~2~-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-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

V022-4880

Molecular Formula

C26H27N5O5 (C26 H27 N5 O5)

Compound Name

N~2~-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-5-benzyl-N~2~-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-(1-{5-benzyl-4-oxo-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-2-yl}-N-methylformamido)acetamide

SMILES

CN(CC(NCc(cc1)cc2c1OCO2)=O)C(c1nn(CCCN(Cc2ccccc2)C2=O)c2c1)=O

InChI

InChI=1S/C26H27N5O5/c1-29(16-24(32)27-14-19-8-9-22-23(12-19)36-17-35-22)25(33)20-13-21-26(34)30(10-5-11-31(21)28-20)15-18-6-3-2-4-7-18/h2-4,6-9,12-13H,5,10-11,14-17H2,1H3,(H,27,32)

InChI Key

DRVOHTHUCMDYJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19907726

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.641

Distribution Coefficient, logD

1.641

Water Solubility, LogSw

-2.31

Polar Surface Area

88.119

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

V022-4880 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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)

SH2 Library (10483 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V022-4880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-4880?
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What is the minimum amount of V022-4880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-4880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-4880
  • 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 V022-4880 available by request