V029-6657 Screening compound: N-{4-[2-(4-FLUOROPHENYL)ETHYL]-2-METHYL-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}CYCLOPROPANECARBOXAMIDE

V029-6657 Screening compound: N-{4-[2-(4-FLUOROPHENYL)ETHYL]-2-METHYL-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}CYCLOPROPANECARBOXAMIDE
V029-6657 Screening compound: N-{4-[2-(4-FLUOROPHENYL)ETHYL]-2-METHYL-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}CYCLOPROPANECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6657
N-{4-[2-(4-FLUOROPHENYL)ETHYL]-2-METHYL-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}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

V029-6657

Molecular Formula

C22H23FN2O3 (C22 H23 FN2 O3)

Compound Name

N-{4-[2-(4-FLUOROPHENYL)ETHYL]-2-METHYL-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}CYCLOPROPANECARBOXAMIDE

IUPAC name

n/a

SMILES

CC(C(N(CCc(cc1)ccc1F)C1)=O)Oc(cc2)c1cc2NC(C1CC1)=O

InChI

InChI=1S/C22H23FN2O3/c1-14-22(27)25(11-10-15-2-6-18(23)7-3-15)13-17-12-19(8-9-20(17)28-14)24-21(26)16-4-5-16/h2-3,6-9,12,14,16H,4-5,10-11,13H2,1H3,(H,24,26)/t14-/m0/s1

InChI Key

BVBHLRJLBAAWQA-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD19854369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.376

Distribution Coefficient, logD

3.376

Water Solubility, LogSw

-3.54

Polar Surface Area

48.174

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

V029-6657 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with V029-6657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6657?
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What is the minimum amount of V029-6657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6657
  • 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 V029-6657 available by request