V009-5974 Screening compound: 3-methyl-N-(4-phenylbutan-2-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide

V009-5974 Screening compound: 3-methyl-N-(4-phenylbutan-2-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
V009-5974 Screening compound: 3-methyl-N-(4-phenylbutan-2-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5974
3-methyl-N-(4-phenylbutan-2-yl)-5-[4-(trifluoromethoxy)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

V009-5974

Molecular Formula

C22H21F3N2O3 (C22 H21 F3 N2 O3)

Compound Name

3-methyl-N-(4-phenylbutan-2-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide

IUPAC name

3-methyl-N-(4-phenylbutan-2-yl)-5-[4-(trifluoromethoxy)phenyl]-12-oxazole-4-carboxamide

SMILES

CC(CCc1ccccc1)NC(c1c(-c(cc2)ccc2OC(F)(F)F)onc1C)=O

InChI

InChI=1S/C22H21F3N2O3/c1-14(8-9-16-6-4-3-5-7-16)26-21(28)19-15(2)27-30-20(19)17-10-12-18(13-11-17)29-22(23,24)25/h3-7,10-14H,8-9H2,1-2H3,(H,26,28)/t14-/m0/s1

InChI Key

YCHNXEOBRGDXKF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD19959533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.369

Distribution Coefficient, logD

5.369

Water Solubility, LogSw

-5.50

Polar Surface Area

52.375

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

V009-5974 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V009-5974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5974?
Check Price and Availability of V009-5974, 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 V009-5974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5974
  • 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 V009-5974 available by request