D376-0594 Screening compound: 2-{2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl}-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

D376-0594 Screening compound: 2-{2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl}-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
D376-0594 Screening compound: 2-{2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl}-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D376-0594
2-{2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl}-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]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

D376-0594

Molecular Formula

C23H20ClN3O3S2 (C23 H20 ClN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)OCc2nc(CC(Nc3nc(-c(cc4)ccc4OC)cs3)=O)cs2)c1Cl

InChI

InChI=1S/C23H20ClN3O3S2/c1-14-9-18(7-8-19(14)24)30-11-22-25-16(12-31-22)10-21(28)27-23-26-20(13-32-23)15-3-5-17(29-2)6-4-15/h3-9,12-13H,10-11H2,1-2H3,(H,26,27,28)

InChI Key

RROCNLBWMFIXAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09540934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.732

Distribution Coefficient, logD

6.732

Water Solubility, LogSw

-6.41

Polar Surface Area

58.658

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D376-0594 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D376-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D376-0594?
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What is the minimum amount of D376-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D376-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D376-0594
  • 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 D376-0594 available by request