V003-4672 Screening compound: N-benzyl-N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}cyclobutanecarboxamide

V003-4672 Screening compound: N-benzyl-N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}cyclobutanecarboxamide
V003-4672 Screening compound: N-benzyl-N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4672
N-benzyl-N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}cyclobutanecarboxamide

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

V003-4672

Molecular Formula

C22H22BrN3O2 (C22 H22 BrN3 O2)

Compound Name

N-benzyl-N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}cyclobutanecarboxamide

IUPAC name

N-benzyl-N-{2-[3-(4-bromophenyl)-124-oxadiazol-5-yl]ethyl}cyclobutanecarboxamide

SMILES

O=C(C1CCC1)N(CCc1nc(-c(cc2)ccc2Br)no1)Cc1ccccc1

InChI

InChI=1S/C22H22BrN3O2/c23-19-11-9-17(10-12-19)21-24-20(28-25-21)13-14-26(22(27)18-7-4-8-18)15-16-5-2-1-3-6-16/h1-3,5-6,9-12,18H,4,7-8,13-15H2

InChI Key

BMEXGSUKWDMJOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.983

Distribution Coefficient, logD

4.983

Water Solubility, LogSw

-4.90

Polar Surface Area

48.022

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V003-4672 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V003-4672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4672?
Check Price and Availability of V003-4672, 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 V003-4672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4672
  • 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 V003-4672 available by request