V025-1193 Screening compound: 5-BENZYL-N-[2-(SEC-BUTYLAMINO)-2-OXOETHYL]-4-OXO-5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-2-CARBOXAMIDE

V025-1193 Screening compound: 5-BENZYL-N-[2-(SEC-BUTYLAMINO)-2-OXOETHYL]-4-OXO-5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-2-CARBOXAMIDE
V025-1193 Screening compound: 5-BENZYL-N-[2-(SEC-BUTYLAMINO)-2-OXOETHYL]-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 V025-1193
5-BENZYL-N-[2-(SEC-BUTYLAMINO)-2-OXOETHYL]-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

V025-1193

Molecular Formula

C21H27N5O3 (C21 H27 N5 O3)

Compound Name

5-BENZYL-N-[2-(SEC-BUTYLAMINO)-2-OXOETHYL]-4-OXO-5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-2-CARBOXAMIDE

IUPAC name

2-({5-benzyl-4-oxo-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-2-yl}formamido)-N-(butan-2-yl)acetamide

SMILES

CCC(C)NC(CNC(c1nn(CCCN(Cc2ccccc2)C2=O)c2c1)=O)=O

InChI

InChI=1S/C21H27N5O3/c1-3-15(2)23-19(27)13-22-20(28)17-12-18-21(29)25(10-7-11-26(18)24-17)14-16-8-5-4-6-9-16/h4-6,8-9,12,15H,3,7,10-11,13-14H2,1-2H3,(H,22,28)(H,23,27)/t15-/m0/s1

InChI Key

JOAGIJXQLZRTOJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19907745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.759

Distribution Coefficient, logD

1.759

Water Solubility, LogSw

-2.36

Polar Surface Area

78.979

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

V025-1193 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)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 V025-1193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-1193?
Check Price and Availability of V025-1193, 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 V025-1193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-1193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-1193
  • 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 V025-1193 available by request