V017-5468F Screening compound: N-{2-[(butylcarbamoyl)amino]cyclohexyl}-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide

V017-5468F Screening compound: N-{2-[(butylcarbamoyl)amino]cyclohexyl}-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
V017-5468F Screening compound: N-{2-[(butylcarbamoyl)amino]cyclohexyl}-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5468F
N-{2-[(butylcarbamoyl)amino]cyclohexyl}-2-[(3,5-dimethylphenoxy)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

V017-5468F

Molecular Formula

C24H34N4O3S (C24 H34 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(NC(CCCC1)C1NC(c1csc(COc2cc(C)cc(C)c2)n1)=O)=O

InChI

InChI=1S/C24H34N4O3S/c1-4-5-10-25-24(30)28-20-9-7-6-8-19(20)27-23(29)21-15-32-22(26-21)14-31-18-12-16(2)11-17(3)13-18/h11-13,15,19-20H,4-10,14H2,1-3H3,(H,27,29)(H2,25,28,30)

InChI Key

ROBQAVSPKCCVPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19968549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.987

Distribution Coefficient, logD

4.987

Water Solubility, LogSw

-4.63

Polar Surface Area

77.479

Acid Dissociation Constant (pKa)

15.11

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.20

V017-5468F 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 V017-5468F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5468F?
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What is the minimum amount of V017-5468F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5468F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5468F
  • 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 V017-5468F available by request