C798-1264 Screening compound: methyl 3-(1,2-benzothiazole-3-amido)-4-methylbenzoate

C798-1264 Screening compound: methyl 3-(1,2-benzothiazole-3-amido)-4-methylbenzoate
C798-1264 Screening compound: methyl 3-(1,2-benzothiazole-3-amido)-4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1264
methyl 3-(1,2-benzothiazole-3-amido)-4-methylbenzoate

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

C798-1264

Molecular Formula

C17H14N2O3S (C17 H14 N2 O3 S)

Compound Name

methyl 3-(1,2-benzothiazole-3-amido)-4-methylbenzoate

IUPAC name

methyl 3-(12-benzothiazole-3-amido)-4-methylbenzoate

SMILES

Cc(ccc(C(OC)=O)c1)c1NC(c1nsc2c1cccc2)=O

InChI

InChI=1S/C17H14N2O3S/c1-10-7-8-11(17(21)22-2)9-13(10)18-16(20)15-12-5-3-4-6-14(12)23-19-15/h3-9H,1-2H3,(H,18,20)

InChI Key

RXNPOFHQBZXSKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.974

Distribution Coefficient, logD

3.974

Water Solubility, LogSw

-4.21

Polar Surface Area

54.796

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

C798-1264 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C798-1264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1264?
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What is the minimum amount of C798-1264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1264
  • 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 C798-1264 available by request