D319-0396 Screening compound: ethyl 2-(4-methyl-1,2,3-thiadiazole-5-amido)-1,3-benzothiazole-6-carboxylate

D319-0396 Screening compound: ethyl 2-(4-methyl-1,2,3-thiadiazole-5-amido)-1,3-benzothiazole-6-carboxylate
D319-0396 Screening compound: ethyl 2-(4-methyl-1,2,3-thiadiazole-5-amido)-1,3-benzothiazole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0396
ethyl 2-(4-methyl-1,2,3-thiadiazole-5-amido)-1,3-benzothiazole-6-carboxylate

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

D319-0396

Molecular Formula

C14H12N4O3S2 (C14 H12 N4 O3 S2)

Compound Name

ethyl 2-(4-methyl-1,2,3-thiadiazole-5-amido)-1,3-benzothiazole-6-carboxylate

IUPAC name

ethyl 2-(4-methyl-123-thiadiazole-5-amido)-13-benzothiazole-6-carboxylate

SMILES

CCOC(c(cc1)cc2c1nc(NC(c1c(C)nns1)=O)s2)=O

InChI

InChI=1S/C14H12N4O3S2/c1-3-21-13(20)8-4-5-9-10(6-8)22-14(15-9)16-12(19)11-7(2)17-18-23-11/h4-6H,3H2,1-2H3,(H,15,16,19)

InChI Key

ADVYAIDIKASKKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08549456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.365

Distribution Coefficient, logD

3.344

Water Solubility, LogSw

-3.52

Polar Surface Area

76.288

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

D319-0396 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D319-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0396?
Check Price and Availability of D319-0396, 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 D319-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0396
  • 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 D319-0396 available by request