V012-4322 Screening compound: N-[2-(BENZYLOXY)CYCLOPENTYL]-3-METHYL-5-[3-(TRIFLUOROMETHYL)PHENYL]-1,2-OXAZOLE-4-CARBOXAMIDE

V012-4322 Screening compound: N-[2-(BENZYLOXY)CYCLOPENTYL]-3-METHYL-5-[3-(TRIFLUOROMETHYL)PHENYL]-1,2-OXAZOLE-4-CARBOXAMIDE
V012-4322 Screening compound: N-[2-(BENZYLOXY)CYCLOPENTYL]-3-METHYL-5-[3-(TRIFLUOROMETHYL)PHENYL]-1,2-OXAZOLE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-4322
N-[2-(BENZYLOXY)CYCLOPENTYL]-3-METHYL-5-[3-(TRIFLUOROMETHYL)PHENYL]-1,2-OXAZOLE-4-CARBOXAMIDE

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

V012-4322

Molecular Formula

C24H23F3N2O3 (C24 H23 F3 N2 O3)

Compound Name

N-[2-(BENZYLOXY)CYCLOPENTYL]-3-METHYL-5-[3-(TRIFLUOROMETHYL)PHENYL]-1,2-OXAZOLE-4-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(N[C@@H](CCC1)[C@H]1OCc1ccccc1)=O

InChI

InChI=1S/C24H23F3N2O3/c1-15-21(22(32-29-15)17-9-5-10-18(13-17)24(25,26)27)23(30)28-19-11-6-12-20(19)31-14-16-7-3-2-4-8-16/h2-5,7-10,13,19-20H,6,11-12,14H2,1H3,(H,28,30)/t19-,20-/m0/s1

InChI Key

DSCHUBRRQAICRJ-PMACEKPBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.45

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

4.712

Distribution Coefficient, logD

4.712

Water Solubility, LogSw

-4.75

Polar Surface Area

54.163

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

V012-4322 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V012-4322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-4322?
Check Price and Availability of V012-4322, 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 V012-4322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-4322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-4322
  • 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 V012-4322 available by request