D376-0036 Screening compound: methyl 4-{2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-amido}benzoate

D376-0036 Screening compound: methyl 4-{2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-amido}benzoate
D376-0036 Screening compound: methyl 4-{2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D376-0036
methyl 4-{2-[(2,5-dimethylphenoxy)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

D376-0036

Molecular Formula

C22H22N2O4S (C22 H22 N2 O4 S)

Compound Name

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

IUPAC name

methyl 4-{2-[(25-dimethylphenoxy)methyl]-4-methyl-13-thiazole-5-amido}benzoate

SMILES

Cc1c(C(Nc(cc2)ccc2C(OC)=O)=O)sc(COc2c(C)ccc(C)c2)n1

InChI

InChI=1S/C22H22N2O4S/c1-13-5-6-14(2)18(11-13)28-12-19-23-15(3)20(29-19)21(25)24-17-9-7-16(8-10-17)22(26)27-4/h5-11H,12H2,1-4H3,(H,24,25)

InChI Key

XQPFMEYWWVYUGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27582481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.154

Distribution Coefficient, logD

5.150

Water Solubility, LogSw

-4.98

Polar Surface Area

62.895

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D376-0036 in Drug Discovery

Included in Screening Libraries

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

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 D376-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D376-0036?
Check Price and Availability of D376-0036, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D376-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D376-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D376-0036
  • 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 D376-0036 available by request