V030-4681 Screening compound: 2-chloro-N-cyclohexyl-N-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)benzamide

V030-4681 Screening compound: 2-chloro-N-cyclohexyl-N-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)benzamide
V030-4681 Screening compound: 2-chloro-N-cyclohexyl-N-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4681
2-chloro-N-cyclohexyl-N-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)benzamide

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

V030-4681

Molecular Formula

C24H23ClF3N3O2 (C24 H23 ClF3 N3 O2)

Compound Name

2-chloro-N-cyclohexyl-N-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)benzamide

IUPAC name

2-chloro-N-cyclohexyl-N-(2-{3-[3-(trifluoromethyl)phenyl]-124-oxadiazol-5-yl}ethyl)benzamide

SMILES

O=C(c(cccc1)c1Cl)N(CCc1nc(-c2cc(C(F)(F)F)ccc2)no1)C1CCCCC1

InChI

InChI=1S/C24H23ClF3N3O2/c25-20-12-5-4-11-19(20)23(32)31(18-9-2-1-3-10-18)14-13-21-29-22(30-33-21)16-7-6-8-17(15-16)24(26,27)28/h4-8,11-12,15,18H,1-3,9-10,13-14H2

InChI Key

RCXLXMLLFCVUCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20493830

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.91

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

6.800

Distribution Coefficient, logD

6.800

Water Solubility, LogSw

-6.41

Polar Surface Area

46.744

Acid Dissociation Constant (pKa)

26.73

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V030-4681 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V030-4681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4681?
Check Price and Availability of V030-4681, 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 V030-4681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4681
  • 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 V030-4681 available by request