V013-3363 Screening compound: N-{3-[6-(2,5-dimethoxyphenyl)pyridin-2-yl]phenyl}-4-fluoro-2-(trifluoromethyl)benzamide

V013-3363 Screening compound: N-{3-[6-(2,5-dimethoxyphenyl)pyridin-2-yl]phenyl}-4-fluoro-2-(trifluoromethyl)benzamide
V013-3363 Screening compound: N-{3-[6-(2,5-dimethoxyphenyl)pyridin-2-yl]phenyl}-4-fluoro-2-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-3363
N-{3-[6-(2,5-dimethoxyphenyl)pyridin-2-yl]phenyl}-4-fluoro-2-(trifluoromethyl)benzamide

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

V013-3363

Molecular Formula

C27H20F4N2O3 (C27 H20 F4 N2 O3)

Compound Name

N-{3-[6-(2,5-dimethoxyphenyl)pyridin-2-yl]phenyl}-4-fluoro-2-(trifluoromethyl)benzamide

IUPAC name

N-{3-[6-(25-dimethoxyphenyl)pyridin-2-yl]phenyl}-4-fluoro-2-(trifluoromethyl)benzamide

SMILES

COc(cc1)cc(-c2cccc(-c3cccc(NC(c(cc4)c(C(F)(F)F)cc4F)=O)c3)n2)c1OC

InChI

InChI=1S/C27H20F4N2O3/c1-35-19-10-12-25(36-2)21(15-19)24-8-4-7-23(33-24)16-5-3-6-18(13-16)32-26(34)20-11-9-17(28)14-22(20)27(29,30)31/h3-15H,1-2H3,(H,32,34)

InChI Key

CFWLQBVZQPIDMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952835

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

496.46

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

6.850

Distribution Coefficient, logD

6.515

Water Solubility, LogSw

-5.84

Polar Surface Area

46.576

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

7.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

V013-3363 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V013-3363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-3363?
Check Price and Availability of V013-3363, 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 V013-3363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-3363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-3363
  • 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 V013-3363 available by request