V018-5451 Screening compound: 5-BENZYL-N-(2-METHYLPROPYL)-4-OXO-N-[3-OXO-3-(PYRROLIDIN-1-YL)PROPYL]-4H,5H,6H,7H,8H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-2-CARBOXAMIDE

V018-5451 Screening compound: 5-BENZYL-N-(2-METHYLPROPYL)-4-OXO-N-[3-OXO-3-(PYRROLIDIN-1-YL)PROPYL]-4H,5H,6H,7H,8H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-2-CARBOXAMIDE
V018-5451 Screening compound: 5-BENZYL-N-(2-METHYLPROPYL)-4-OXO-N-[3-OXO-3-(PYRROLIDIN-1-YL)PROPYL]-4H,5H,6H,7H,8H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5451
5-BENZYL-N-(2-METHYLPROPYL)-4-OXO-N-[3-OXO-3-(PYRROLIDIN-1-YL)PROPYL]-4H,5H,6H,7H,8H-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

V018-5451

Molecular Formula

C26H35N5O3 (C26 H35 N5 O3)

Compound Name

5-BENZYL-N-(2-METHYLPROPYL)-4-OXO-N-[3-OXO-3-(PYRROLIDIN-1-YL)PROPYL]-4H,5H,6H,7H,8H-PYRAZOLO[1,5-A][1,4]DIAZEPINE-2-CARBOXAMIDE

IUPAC name

5-benzyl-N-(2-methylpropyl)-4-oxo-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4H5H6H7H8H-pyrazolo[15-a][14]diazepine-2-carboxamide

SMILES

CC(C)CN(CCC(N1CCCC1)=O)C(c1nn(CCCN(Cc2ccccc2)C2=O)c2c1)=O

InChI

InChI=1S/C26H35N5O3/c1-20(2)18-30(16-11-24(32)28-12-6-7-13-28)25(33)22-17-23-26(34)29(14-8-15-31(23)27-22)19-21-9-4-3-5-10-21/h3-5,9-10,17,20H,6-8,11-16,18-19H2,1-2H3

InChI Key

PIKZEDSFRKJKOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19907469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.396

Distribution Coefficient, logD

2.396

Water Solubility, LogSw

-2.69

Polar Surface Area

63.330

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

V018-5451 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with V018-5451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5451?
Check Price and Availability of V018-5451, 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 V018-5451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5451
  • 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 V018-5451 available by request