C505-0586 Screening compound: methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate

C505-0586 Screening compound: methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate
C505-0586 Screening compound: methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C505-0586
methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-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

C505-0586

Molecular Formula

C16H10ClN3O2S2 (C16 H10 ClN3 O2 S2)

Compound Name

methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate

IUPAC name

methyl 2-[(6-chloro-13-benzothiazol-2-yl)amino]-13-benzothiazole-6-carboxylate

SMILES

COC(c(cc1)cc2c1nc(Nc1nc(ccc(Cl)c3)c3s1)s2)=O

InChI

InChI=1S/C16H10ClN3O2S2/c1-22-14(21)8-2-4-10-12(6-8)23-15(18-10)20-16-19-11-5-3-9(17)7-13(11)24-16/h2-7H,1H3,(H,18,19,20)

InChI Key

ZBUCDPVNBJXIQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05892818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.077

Distribution Coefficient, logD

6.077

Water Solubility, LogSw

-6.26

Polar Surface Area

49.847

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

C505-0586 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Lipid Metabolism Library (9174 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C505-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C505-0586?
Check Price and Availability of C505-0586, 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 C505-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C505-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C505-0586
  • 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 C505-0586 available by request