0703-6528 Screening compound: ethyl 6-{[(6-methyl-1,3-benzothiazol-2-yl)amino]carbonyl}-2-pyridinecarboxylate

0703-6528 Screening compound: ethyl 6-{[(6-methyl-1,3-benzothiazol-2-yl)amino]carbonyl}-2-pyridinecarboxylate
0703-6528 Screening compound: ethyl 6-{[(6-methyl-1,3-benzothiazol-2-yl)amino]carbonyl}-2-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0703-6528
ethyl 6-{[(6-methyl-1,3-benzothiazol-2-yl)amino]carbonyl}-2-pyridinecarboxylate

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

0703-6528

Molecular Formula

C17H15N3O3S (C17 H15 N3 O3 S)

Compound Name

ethyl 6-{[(6-methyl-1,3-benzothiazol-2-yl)amino]carbonyl}-2-pyridinecarboxylate

IUPAC name

ethyl 6-[(6-methyl-13-benzothiazol-2-yl)carbamoyl]pyridine-2-carboxylate

SMILES

CCOC(c1cccc(C(Nc2nc(ccc(C)c3)c3s2)=O)n1)=O

InChI

InChI=1S/C17H15N3O3S/c1-3-23-16(22)13-6-4-5-12(18-13)15(21)20-17-19-11-8-7-10(2)9-14(11)24-17/h4-9H,3H2,1-2H3,(H,19,20,21)

InChI Key

WDFNWCOVLJKZHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-3.94

Polar Surface Area

62.460

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

0703-6528 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0703-6528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0703-6528?
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What is the minimum amount of 0703-6528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0703-6528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0703-6528
  • 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 0703-6528 available by request