D376-0369 Screening compound: ethyl 3-{2-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-1,3-thiazole-5-amido}benzoate

D376-0369 Screening compound: ethyl 3-{2-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-1,3-thiazole-5-amido}benzoate
D376-0369 Screening compound: ethyl 3-{2-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-1,3-thiazole-5-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D376-0369
ethyl 3-{2-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-1,3-thiazole-5-amido}benzoate

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

D376-0369

Molecular Formula

C22H21ClN2O4S (C22 H21 ClN2 O4 S)

Compound Name

ethyl 3-{2-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-1,3-thiazole-5-amido}benzoate

IUPAC name

ethyl 3-{2-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-13-thiazole-5-amido}benzoate

SMILES

CCOC(c1cccc(NC(c2c(C)nc(COc(cc3)cc(C)c3Cl)s2)=O)c1)=O

InChI

InChI=1S/C22H21ClN2O4S/c1-4-28-22(27)15-6-5-7-16(11-15)25-21(26)20-14(3)24-19(30-20)12-29-17-8-9-18(23)13(2)10-17/h5-11H,4,12H2,1-3H3,(H,25,26)

InChI Key

OEELZWYZGGUBKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27582493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.202

Distribution Coefficient, logD

6.202

Water Solubility, LogSw

-6.25

Polar Surface Area

62.389

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D376-0369 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D376-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D376-0369?
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What is the minimum amount of D376-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D376-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D376-0369
  • 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 D376-0369 available by request