D731-0013 Screening compound: N-(3,4-dichlorophenyl)-1,2,3-benzothiadiazole-6-carboxamide

D731-0013 Screening compound: N-(3,4-dichlorophenyl)-1,2,3-benzothiadiazole-6-carboxamide
D731-0013 Screening compound: N-(3,4-dichlorophenyl)-1,2,3-benzothiadiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0013
N-(3,4-dichlorophenyl)-1,2,3-benzothiadiazole-6-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

D731-0013

Molecular Formula

C13H7Cl2N3OS (C13 H7 Cl2 N3 OS)

Compound Name

N-(3,4-dichlorophenyl)-1,2,3-benzothiadiazole-6-carboxamide

IUPAC name

N-(34-dichlorophenyl)-123-benzothiadiazole-6-carboxamide

SMILES

O=C(c(cc1)cc2c1nns2)Nc(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C13H7Cl2N3OS/c14-9-3-2-8(6-10(9)15)16-13(19)7-1-4-11-12(5-7)20-18-17-11/h1-6H,(H,16,19)

InChI Key

PBJMODCJGDILOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09983515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.469

Distribution Coefficient, logD

4.227

Water Solubility, LogSw

-4.64

Polar Surface Area

44.911

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

-4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D731-0013 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D731-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0013?
Check Price and Availability of D731-0013, 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 D731-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0013
  • 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 D731-0013 available by request