V003-2852 Screening compound: N~1~-{2-ethyl-3-oxo-4-[3-(trifluoromethyl)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide

V003-2852 Screening compound: N~1~-{2-ethyl-3-oxo-4-[3-(trifluoromethyl)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide
V003-2852 Screening compound: N~1~-{2-ethyl-3-oxo-4-[3-(trifluoromethyl)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2852
N~1~-{2-ethyl-3-oxo-4-[3-(trifluoromethyl)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide

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

V003-2852

Molecular Formula

C27H24F4N2O3 (C27 H24 F4 N2 O3)

Compound Name

N~1~-{2-ethyl-3-oxo-4-[3-(trifluoromethyl)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(4-fluorophenyl)acetamide

IUPAC name

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

SMILES

CCC(C(N(Cc1cc(C(F)(F)F)ccc1)C1)=O)Oc(cc2)c1cc2NC(Cc(cc1)ccc1F)=O

InChI

InChI=1S/C27H24F4N2O3/c1-2-23-26(35)33(15-18-4-3-5-20(12-18)27(29,30)31)16-19-14-22(10-11-24(19)36-23)32-25(34)13-17-6-8-21(28)9-7-17/h3-12,14,23H,2,13,15-16H2,1H3,(H,32,34)/t23-/m1/s1

InChI Key

YUXLIBMAOXSFHD-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19849004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.49

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

5.212

Distribution Coefficient, logD

5.212

Water Solubility, LogSw

-5.27

Polar Surface Area

47.653

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V003-2852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2852?
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What is the minimum amount of V003-2852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2852
  • 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 V003-2852 available by request