V013-5065 Screening compound: 3-METHYL-N-(1,2,2,6,6-PENTAMETHYL-4-PIPERIDYL)-5-[3-(TRIFLUOROMETHYL)PHENYL]-4-ISOXAZOLECARBOXAMIDE

V013-5065 Screening compound: 3-METHYL-N-(1,2,2,6,6-PENTAMETHYL-4-PIPERIDYL)-5-[3-(TRIFLUOROMETHYL)PHENYL]-4-ISOXAZOLECARBOXAMIDE
V013-5065 Screening compound: 3-METHYL-N-(1,2,2,6,6-PENTAMETHYL-4-PIPERIDYL)-5-[3-(TRIFLUOROMETHYL)PHENYL]-4-ISOXAZOLECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5065
3-METHYL-N-(1,2,2,6,6-PENTAMETHYL-4-PIPERIDYL)-5-[3-(TRIFLUOROMETHYL)PHENYL]-4-ISOXAZOLECARBOXAMIDE

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

V013-5065

Molecular Formula

C22H28F3N3O2 (C22 H28 F3 N3 O2)

Compound Name

3-METHYL-N-(1,2,2,6,6-PENTAMETHYL-4-PIPERIDYL)-5-[3-(TRIFLUOROMETHYL)PHENYL]-4-ISOXAZOLECARBOXAMIDE

IUPAC name

n/a

SMILES

CC(C)(C1)N(C)C(C)(C)CC1NC(c1c(-c2cccc(C(F)(F)F)c2)onc1C)=O

InChI

InChI=1S/C22H28F3N3O2/c1-13-17(18(30-27-13)14-8-7-9-15(10-14)22(23,24)25)19(29)26-16-11-20(2,3)28(6)21(4,5)12-16/h7-10,16H,11-12H2,1-6H3,(H,26,29)

InChI Key

IEBQZGAPJXYQSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19959498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.026

Distribution Coefficient, logD

1.354

Water Solubility, LogSw

-4.35

Polar Surface Area

48.523

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

V013-5065 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V013-5065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5065?
Check Price and Availability of V013-5065, 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 V013-5065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5065
  • 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 V013-5065 available by request