V001-7169 Screening compound: 2-fluoro-N-{4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}benzamide

V001-7169 Screening compound: 2-fluoro-N-{4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}benzamide
V001-7169 Screening compound: 2-fluoro-N-{4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-7169
2-fluoro-N-{4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}benzamide

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

V001-7169

Molecular Formula

C29H28F2N4O3 (C29 H28 F2 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1F)Nc(cc1)cc(C(N2CCCC2)=O)c1N(CC1)CCN1C(c1cc(F)ccc1)=O

InChI

InChI=1S/C29H28F2N4O3/c30-21-7-5-6-20(18-21)28(37)35-16-14-33(15-17-35)26-11-10-22(19-24(26)29(38)34-12-3-4-13-34)32-27(36)23-8-1-2-9-25(23)31/h1-2,5-11,18-19H,3-4,12-17H2,(H,32,36)

InChI Key

IERKBRODPDISCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14252941

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.56

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

3.905

Distribution Coefficient, logD

3.905

Water Solubility, LogSw

-4.08

Polar Surface Area

59.952

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

V001-7169 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 V001-7169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-7169?
Check Price and Availability of V001-7169, 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 V001-7169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-7169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-7169
  • 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 V001-7169 available by request