V011-8491 Screening compound: 5-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide

V011-8491 Screening compound: 5-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
V011-8491 Screening compound: 5-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-8491
5-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-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

V011-8491

Molecular Formula

C23H25FN2O2 (C23 H25 FN2 O2)

Compound Name

5-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide

IUPAC name

5-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-12-oxazole-4-carboxamide

SMILES

CC(C)(C)c(cc1)ccc1-c1c(C(NCCc(cc2)ccc2F)=O)c(C)no1

InChI

InChI=1S/C23H25FN2O2/c1-15-20(22(27)25-14-13-16-5-11-19(24)12-6-16)21(28-26-15)17-7-9-18(10-8-17)23(2,3)4/h5-12H,13-14H2,1-4H3,(H,25,27)

InChI Key

OGWYWZNHRVGVJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19980276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.234

Distribution Coefficient, logD

5.234

Water Solubility, LogSw

-5.21

Polar Surface Area

46.838

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

V011-8491 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V011-8491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-8491?
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What is the minimum amount of V011-8491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-8491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-8491
  • 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 V011-8491 available by request