V022-5558 Screening compound: N-{4-[(benzylcarbamoyl)methyl]phenyl}-3-fluoro-N-[(4-fluorophenyl)methyl]benzamide

V022-5558 Screening compound: N-{4-[(benzylcarbamoyl)methyl]phenyl}-3-fluoro-N-[(4-fluorophenyl)methyl]benzamide
V022-5558 Screening compound: N-{4-[(benzylcarbamoyl)methyl]phenyl}-3-fluoro-N-[(4-fluorophenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-5558
N-{4-[(benzylcarbamoyl)methyl]phenyl}-3-fluoro-N-[(4-fluorophenyl)methyl]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

V022-5558

Molecular Formula

C29H24F2N2O2 (C29 H24 F2 N2 O2)

Compound Name

N-{4-[(benzylcarbamoyl)methyl]phenyl}-3-fluoro-N-[(4-fluorophenyl)methyl]benzamide

IUPAC name

N-{4-[(benzylcarbamoyl)methyl]phenyl}-3-fluoro-N-[(4-fluorophenyl)methyl]benzamide

SMILES

O=C(Cc(cc1)ccc1N(Cc(cc1)ccc1F)C(c1cccc(F)c1)=O)NCc1ccccc1

InChI

InChI=1S/C29H24F2N2O2/c30-25-13-9-23(10-14-25)20-33(29(35)24-7-4-8-26(31)18-24)27-15-11-21(12-16-27)17-28(34)32-19-22-5-2-1-3-6-22/h1-16,18H,17,19-20H2,(H,32,34)

InChI Key

WSOOMYDAKUZJOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19902915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.156

Distribution Coefficient, logD

5.156

Water Solubility, LogSw

-5.38

Polar Surface Area

39.789

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

V022-5558 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Others

References: we are preparing a list of scientific research reports with V022-5558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-5558?
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What is the minimum amount of V022-5558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-5558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-5558
  • 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 V022-5558 available by request