V027-6053 Screening compound: (2E)-N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-phenylprop-2-enamide

V027-6053 Screening compound: (2E)-N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-phenylprop-2-enamide
V027-6053 Screening compound: (2E)-N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-6053
(2E)-N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-phenylprop-2-enamide

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

V027-6053

Molecular Formula

C23H24BrN3O2 (C23 H24 BrN3 O2)

Compound Name

(2E)-N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-phenylprop-2-enamide

IUPAC name

(2E)-N-{2-[3-(4-bromophenyl)-124-oxadiazol-5-yl]ethyl}-N-butyl-3-phenylprop-2-enamide

SMILES

CCCCN(CCc1nc(-c(cc2)ccc2Br)no1)C(/C=C/c1ccccc1)=O

InChI

InChI=1S/C23H24BrN3O2/c1-2-3-16-27(22(28)14-9-18-7-5-4-6-8-18)17-15-21-25-23(26-29-21)19-10-12-20(24)13-11-19/h4-14H,2-3,15-17H2,1H3

InChI Key

KHMBSWKWZWGBGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19781791

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.275

Distribution Coefficient, logD

6.274

Water Solubility, LogSw

-5.52

Polar Surface Area

47.222

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V027-6053 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V027-6053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-6053?
Check Price and Availability of V027-6053, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V027-6053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-6053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-6053
  • 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 V027-6053 available by request