8512-0137 Screening compound: 2-chloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide

8512-0137 Screening compound: 2-chloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
8512-0137 Screening compound: 2-chloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8512-0137
2-chloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-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

8512-0137

Molecular Formula

C12H6Cl2N4OS (C12 H6 Cl2 N4 OS)

Compound Name

2-chloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide

IUPAC name

2-chloro-N-(5-chloro-213-benzothiadiazol-4-yl)pyridine-3-carboxamide

SMILES

O=C(c1cccnc1Cl)Nc(c1nsnc1cc1)c1Cl

InChI

InChI=1S/C12H6Cl2N4OS/c13-7-3-4-8-10(18-20-17-8)9(7)16-12(19)6-2-1-5-15-11(6)14/h1-5H,(H,16,19)

InChI Key

NZTYKTLMTSFHGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07086487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.18

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.741

Distribution Coefficient, logD

1.405

Water Solubility, LogSw

-3.89

Polar Surface Area

52.572

Acid Dissociation Constant (pKa)

6.08

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8512-0137 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8512-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8512-0137?
Check Price and Availability of 8512-0137, 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 8512-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8512-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8512-0137
  • 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 8512-0137 available by request