D376-0451 Screening compound: 2-[(4-chloro-3-methylphenoxy)methyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

D376-0451 Screening compound: 2-[(4-chloro-3-methylphenoxy)methyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
D376-0451 Screening compound: 2-[(4-chloro-3-methylphenoxy)methyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D376-0451
2-[(4-chloro-3-methylphenoxy)methyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

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

D376-0451

Molecular Formula

C22H20ClN3O3S2 (C22 H20 ClN3 O3 S2)

Compound Name

2-[(4-chloro-3-methylphenoxy)methyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

IUPAC name

2-[(4-chloro-3-methylphenoxy)methyl]-N-(6-ethoxy-13-benzothiazol-2-yl)-4-methyl-13-thiazole-5-carboxamide

SMILES

CCOc(cc1)cc2c1nc(NC(c1c(C)nc(COc(cc3)cc(C)c3Cl)s1)=O)s2

InChI

InChI=1S/C22H20ClN3O3S2/c1-4-28-15-6-8-17-18(10-15)30-22(25-17)26-21(27)20-13(3)24-19(31-20)11-29-14-5-7-16(23)12(2)9-14/h5-10H,4,11H2,1-3H3,(H,25,26,27)

InChI Key

FWDVFPBEIBMFCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09540922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.734

Distribution Coefficient, logD

6.733

Water Solubility, LogSw

-6.35

Polar Surface Area

58.520

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D376-0451 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D376-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D376-0451?
Check Price and Availability of D376-0451, 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 D376-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D376-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D376-0451
  • 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 D376-0451 available by request