V010-9042 Screening compound: N-({2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-4-fluoro-N-(propan-2-yl)benzamide

V010-9042 Screening compound: N-({2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-4-fluoro-N-(propan-2-yl)benzamide
V010-9042 Screening compound: N-({2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-4-fluoro-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9042
N-({2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-4-fluoro-N-(propan-2-yl)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

V010-9042

Molecular Formula

C23H25FN2O2S (C23 H25 FN2 O2 S)

Compound Name

N-({2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-4-fluoro-N-(propan-2-yl)benzamide

IUPAC name

N-({2-[(35-dimethylphenoxy)methyl]-13-thiazol-4-yl}methyl)-4-fluoro-N-(propan-2-yl)benzamide

SMILES

CC(C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)C(c(cc1)ccc1F)=O

InChI

InChI=1S/C23H25FN2O2S/c1-15(2)26(23(27)18-5-7-19(24)8-6-18)12-20-14-29-22(25-20)13-28-21-10-16(3)9-17(4)11-21/h5-11,14-15H,12-13H2,1-4H3

InChI Key

OFHMVAPYEJCEHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19863115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.596

Distribution Coefficient, logD

5.596

Water Solubility, LogSw

-5.44

Polar Surface Area

34.417

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

V010-9042 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 V010-9042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9042?
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What is the minimum amount of V010-9042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9042
  • 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 V010-9042 available by request