V003-2994 Screening compound: N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide

V003-2994 Screening compound: N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide
V003-2994 Screening compound: N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2994
N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide

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

V003-2994

Molecular Formula

C28H28ClFN2O3 (C28 H28 ClFN2 O3)

Compound Name

N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-phenylbutanamide

IUPAC name

N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-2-phenylbutanamide

SMILES

CCC(C(Nc(cc1)cc(CN2Cc(ccc(F)c3)c3Cl)c1OC(CC)C2=O)=O)c1ccccc1

InChI

InChI=1S/C28H28ClFN2O3/c1-3-23(18-8-6-5-7-9-18)27(33)31-22-12-13-26-20(14-22)17-32(28(34)25(4-2)35-26)16-19-10-11-21(30)15-24(19)29/h5-15,23,25H,3-4,16-17H2,1-2H3,(H,31,33)

InChI Key

RFRCONWLUPFZQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19854626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.415

Distribution Coefficient, logD

6.415

Water Solubility, LogSw

-6.21

Polar Surface Area

47.866

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

V003-2994 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V003-2994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2994?
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What is the minimum amount of V003-2994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2994
  • 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 V003-2994 available by request