V003-2818 Screening compound: N-(2-ETHYL-3-OXO-4-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL)-3-FLUORO-4-METHYLBENZENE-1-SULFONAMIDE

V003-2818 Screening compound: N-(2-ETHYL-3-OXO-4-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL)-3-FLUORO-4-METHYLBENZENE-1-SULFONAMIDE
V003-2818 Screening compound: N-(2-ETHYL-3-OXO-4-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL)-3-FLUORO-4-METHYLBENZENE-1-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2818
N-(2-ETHYL-3-OXO-4-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL)-3-FLUORO-4-METHYLBENZENE-1-SULFONAMIDE

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

V003-2818

Molecular Formula

C26H24F4N2O4S (C26 H24 F4 N2 O4 S)

Compound Name

N-(2-ETHYL-3-OXO-4-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL)-3-FLUORO-4-METHYLBENZENE-1-SULFONAMIDE

IUPAC name

n/a

SMILES

CCC(C(N(Cc1cc(C(F)(F)F)ccc1)C1)=O)Oc(cc2)c1cc2NS(c1cc(F)c(C)cc1)(=O)=O

InChI

InChI=1S/C26H24F4N2O4S/c1-3-23-25(33)32(14-17-5-4-6-19(11-17)26(28,29)30)15-18-12-20(8-10-24(18)36-23)31-37(34,35)21-9-7-16(2)22(27)13-21/h4-13,23,31H,3,14-15H2,1-2H3/t23-/m1/s1

InChI Key

AAPUWSRUNCQNHH-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19850024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.766

Distribution Coefficient, logD

5.724

Water Solubility, LogSw

-5.64

Polar Surface Area

65.425

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

-4.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

V003-2818 in Drug Discovery

Included in Screening Libraries

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 V003-2818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2818?
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What is the minimum amount of V003-2818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2818
  • 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 V003-2818 available by request