V007-9265 Screening compound: 5-tert-butyl-3-{1-[(2E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl}-2,3-dihydro-1,3-benzoxazol-2-one

V007-9265 Screening compound: 5-tert-butyl-3-{1-[(2E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl}-2,3-dihydro-1,3-benzoxazol-2-one
V007-9265 Screening compound: 5-tert-butyl-3-{1-[(2E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl}-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-9265
5-tert-butyl-3-{1-[(2E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl}-2,3-dihydro-1,3-benzoxazol-2-one

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

V007-9265

Molecular Formula

C27H31ClN2O5 (C27 H31 ClN2 O5)

Compound Name

5-tert-butyl-3-{1-[(2E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl}-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

5-tert-butyl-3-{1-[(2E)-3-(2-chloro-34-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl}-23-dihydro-13-benzoxazol-2-one

SMILES

CC(C)(C)c(cc1)cc(N2C(CC3)CCN3C(/C=C/c(c(Cl)c3OC)ccc3OC)=O)c1OC2=O

InChI

InChI=1S/C27H31ClN2O5/c1-27(2,3)18-8-10-21-20(16-18)30(26(32)35-21)19-12-14-29(15-13-19)23(31)11-7-17-6-9-22(33-4)25(34-5)24(17)28/h6-11,16,19H,12-15H2,1-5H3

InChI Key

RTFYXZJOCGXTEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19943972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.629

Distribution Coefficient, logD

5.629

Water Solubility, LogSw

-6.09

Polar Surface Area

53.565

Acid Dissociation Constant (pKa)

26.26

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

V007-9265 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V007-9265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-9265?
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What is the minimum amount of V007-9265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-9265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-9265
  • 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 V007-9265 available by request