D376-0649 Screening compound: 2-{2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl}-N-[1-(4-ethylphenyl)ethyl]acetamide

D376-0649 Screening compound: 2-{2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl}-N-[1-(4-ethylphenyl)ethyl]acetamide
D376-0649 Screening compound: 2-{2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl}-N-[1-(4-ethylphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D376-0649
2-{2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl}-N-[1-(4-ethylphenyl)ethyl]acetamide

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

D376-0649

Molecular Formula

C23H25ClN2O2S (C23 H25 ClN2 O2 S)

Compound Name

2-{2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl}-N-[1-(4-ethylphenyl)ethyl]acetamide

IUPAC name

2-{2-[(4-chloro-3-methylphenoxy)methyl]-13-thiazol-4-yl}-N-[1-(4-ethylphenyl)ethyl]acetamide

SMILES

CCc1ccc(C(C)NC(Cc2csc(COc(cc3)cc(C)c3Cl)n2)=O)cc1

InChI

InChI=1S/C23H25ClN2O2S/c1-4-17-5-7-18(8-6-17)16(3)25-22(27)12-19-14-29-23(26-19)13-28-20-9-10-21(24)15(2)11-20/h5-11,14,16H,4,12-13H2,1-3H3,(H,25,27)/t16-/m0/s1

InChI Key

GSCRUJFOAYASIJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD09540938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.125

Distribution Coefficient, logD

6.125

Water Solubility, LogSw

-6.26

Polar Surface Area

41.825

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

D376-0649 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 D376-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D376-0649?
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What is the minimum amount of D376-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D376-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D376-0649
  • 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 D376-0649 available by request