V017-1398 Screening compound: 2-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazole-4-carboxamide

V017-1398 Screening compound: 2-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazole-4-carboxamide
V017-1398 Screening compound: 2-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-1398
2-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazole-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

V017-1398

Molecular Formula

C26H20F4N2O3S (C26 H20 F4 N2 O3 S)

Compound Name

2-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-N-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazole-4-carboxamide

IUPAC name

2-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-N-{[3-(trifluoromethyl)phenyl]methyl}-13-thiazole-4-carboxamide

SMILES

COc(cc(cc1)-c2nc(C(NCc3cc(C(F)(F)F)ccc3)=O)cs2)c1OCc(cccc1)c1F

InChI

InChI=1S/C26H20F4N2O3S/c1-34-23-12-17(9-10-22(23)35-14-18-6-2-3-8-20(18)27)25-32-21(15-36-25)24(33)31-13-16-5-4-7-19(11-16)26(28,29)30/h2-12,15H,13-14H2,1H3,(H,31,33)

InChI Key

BCCHWDLKZUHQHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19925655

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.070

Distribution Coefficient, logD

6.070

Water Solubility, LogSw

-5.73

Polar Surface Area

49.330

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

V017-1398 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-1398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-1398?
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What is the minimum amount of V017-1398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-1398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-1398
  • 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 V017-1398 available by request