V022-7456 Screening compound: 3-(4-fluorobenzyl)-5-{4-[(3-methoxybenzoyl)amino]phenyl}-2-oxo-N~4~-phenyl-1,3-oxazolane-4-carboxamide

V022-7456 Screening compound: 3-(4-fluorobenzyl)-5-{4-[(3-methoxybenzoyl)amino]phenyl}-2-oxo-N~4~-phenyl-1,3-oxazolane-4-carboxamide
V022-7456 Screening compound: 3-(4-fluorobenzyl)-5-{4-[(3-methoxybenzoyl)amino]phenyl}-2-oxo-N~4~-phenyl-1,3-oxazolane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-7456
3-(4-fluorobenzyl)-5-{4-[(3-methoxybenzoyl)amino]phenyl}-2-oxo-N~4~-phenyl-1,3-oxazolane-4-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

V022-7456

Molecular Formula

C31H26FN3O5 (C31 H26 FN3 O5)

Compound Name

3-(4-fluorobenzyl)-5-{4-[(3-methoxybenzoyl)amino]phenyl}-2-oxo-N~4~-phenyl-1,3-oxazolane-4-carboxamide

IUPAC name

3-[(4-fluorophenyl)methyl]-5-[4-(3-methoxybenzamido)phenyl]-2-oxo-N-phenyl-13-oxazolidine-4-carboxamide

SMILES

COc1cccc(C(Nc2ccc(C(C(C(Nc3ccccc3)=O)N3Cc(cc4)ccc4F)OC3=O)cc2)=O)c1

InChI

InChI=1S/C31H26FN3O5/c1-39-26-9-5-6-22(18-26)29(36)33-25-16-12-21(13-17-25)28-27(30(37)34-24-7-3-2-4-8-24)35(31(38)40-28)19-20-10-14-23(32)15-11-20/h2-18,27-28H,19H2,1H3,(H,33,36)(H,34,37)

InChI Key

GDMNBBGLIUYMMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19876146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.788

Distribution Coefficient, logD

4.788

Water Solubility, LogSw

-4.60

Polar Surface Area

77.893

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

12.90

V022-7456 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V022-7456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-7456?
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What is the minimum amount of V022-7456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-7456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-7456
  • 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 V022-7456 available by request