V007-5446 Screening compound: N-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}cyclopropanecarboxamide

V007-5446 Screening compound: N-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}cyclopropanecarboxamide
V007-5446 Screening compound: N-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-5446
N-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}cyclopropanecarboxamide

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

V007-5446

Molecular Formula

C26H29FN4O3 (C26 H29 FN4 O3)

Compound Name

N-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}cyclopropanecarboxamide

IUPAC name

N-{4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}cyclopropanecarboxamide

SMILES

O=C(C1CC1)Nc(cc1)cc(C(N2CCCC2)=O)c1N(CC1)CCN1C(c(cccc1)c1F)=O

InChI

InChI=1S/C26H29FN4O3/c27-22-6-2-1-5-20(22)25(33)31-15-13-29(14-16-31)23-10-9-19(28-24(32)18-7-8-18)17-21(23)26(34)30-11-3-4-12-30/h1-2,5-6,9-10,17-18H,3-4,7-8,11-16H2,(H,28,32)

InChI Key

CKZXFKOXPSEGSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14252552

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.202

Distribution Coefficient, logD

3.202

Water Solubility, LogSw

-3.69

Polar Surface Area

60.475

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

V007-5446 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V007-5446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-5446?
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What is the minimum amount of V007-5446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-5446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-5446
  • 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 V007-5446 available by request