V025-1196 Screening compound: 5-benzyl-N~2~-[2-(cyclopropylamino)-2-oxoethyl]-N~2~-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

V025-1196 Screening compound: 5-benzyl-N~2~-[2-(cyclopropylamino)-2-oxoethyl]-N~2~-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
V025-1196 Screening compound: 5-benzyl-N~2~-[2-(cyclopropylamino)-2-oxoethyl]-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 V025-1196
5-benzyl-N~2~-[2-(cyclopropylamino)-2-oxoethyl]-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

V025-1196

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

5-benzyl-N~2~-[2-(cyclopropylamino)-2-oxoethyl]-N~2~-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

IUPAC name

2-(1-{5-benzyl-4-oxo-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-2-yl}-N-methylformamido)-N-cyclopropylacetamide

SMILES

CN(CC(NC1CC1)=O)C(c1nn(CCCN(Cc2ccccc2)C2=O)c2c1)=O

InChI

InChI=1S/C21H25N5O3/c1-24(14-19(27)22-16-8-9-16)20(28)17-12-18-21(29)25(10-5-11-26(18)23-17)13-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13-14H2,1H3,(H,22,27)

InChI Key

NDSQUDDYOOZWNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19907725

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.620

Distribution Coefficient, logD

0.620

Water Solubility, LogSw

-1.96

Polar Surface Area

71.060

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

V025-1196 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V025-1196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-1196?
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What is the minimum amount of V025-1196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-1196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-1196
  • 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 V025-1196 available by request