V015-4452 Screening compound: 3,3-dimethyl-N-(2-phenyl-1-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)butanamide

V015-4452 Screening compound: 3,3-dimethyl-N-(2-phenyl-1-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)butanamide
V015-4452 Screening compound: 3,3-dimethyl-N-(2-phenyl-1-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-4452
3,3-dimethyl-N-(2-phenyl-1-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)butanamide

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

V015-4452

Molecular Formula

C23H24F3N3O2 (C23 H24 F3 N3 O2)

Compound Name

3,3-dimethyl-N-(2-phenyl-1-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)butanamide

IUPAC name

n/a

SMILES

CC(C)(C)CC(NC(Cc1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1)=O

InChI

InChI=1S/C23H24F3N3O2/c1-22(2,3)14-19(30)27-18(12-15-8-5-4-6-9-15)21-28-20(29-31-21)16-10-7-11-17(13-16)23(24,25)26/h4-11,13,18H,12,14H2,1-3H3,(H,27,30)/t18-/m0/s1

InChI Key

NBBQITNRPCEBPC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19781752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.46

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

6.266

Distribution Coefficient, logD

6.266

Water Solubility, LogSw

-5.72

Polar Surface Area

55.746

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

-4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

V015-4452 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V015-4452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-4452?
Check Price and Availability of V015-4452, 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 V015-4452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-4452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-4452
  • 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 V015-4452 available by request