V017-5457 Screening compound: 2-[(3,5-dimethylphenoxy)methyl]-N-[4-({[2-(trifluoromethyl)phenyl]carbamoyl}amino)cyclohexyl]-1,3-thiazole-4-carboxamide

V017-5457 Screening compound: 2-[(3,5-dimethylphenoxy)methyl]-N-[4-({[2-(trifluoromethyl)phenyl]carbamoyl}amino)cyclohexyl]-1,3-thiazole-4-carboxamide
V017-5457 Screening compound: 2-[(3,5-dimethylphenoxy)methyl]-N-[4-({[2-(trifluoromethyl)phenyl]carbamoyl}amino)cyclohexyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5457
2-[(3,5-dimethylphenoxy)methyl]-N-[4-({[2-(trifluoromethyl)phenyl]carbamoyl}amino)cyclohexyl]-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

V017-5457

Molecular Formula

C27H29F3N4O3S (C27 H29 F3 N4 O3 S)

Compound Name

2-[(3,5-dimethylphenoxy)methyl]-N-[4-({[2-(trifluoromethyl)phenyl]carbamoyl}amino)cyclohexyl]-1,3-thiazole-4-carboxamide

IUPAC name

2-[(35-dimethylphenoxy)methyl]-N-[4-({[2-(trifluoromethyl)phenyl]carbamoyl}amino)cyclohexyl]-13-thiazole-4-carboxamide

SMILES

Cc1cc(OCc2nc(C(NC(CC3)CCC3NC(Nc3c(C(F)(F)F)cccc3)=O)=O)cs2)cc(C)c1

InChI

InChI=1S/C27H29F3N4O3S/c1-16-11-17(2)13-20(12-16)37-14-24-33-23(15-38-24)25(35)31-18-7-9-19(10-8-18)32-26(36)34-22-6-4-3-5-21(22)27(28,29)30/h3-6,11-13,15,18-19H,7-10,14H2,1-2H3,(H,31,35)(H2,32,34,36)

InChI Key

OKXVNMRLIDVEFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19968547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.805

Distribution Coefficient, logD

5.805

Water Solubility, LogSw

-5.49

Polar Surface Area

74.566

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

V017-5457 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V017-5457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5457?
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What is the minimum amount of V017-5457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5457
  • 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 V017-5457 available by request