D731-0014 Screening compound: N-(4-acetamidophenyl)-1,2,3-benzothiadiazole-6-carboxamide

D731-0014 Screening compound: N-(4-acetamidophenyl)-1,2,3-benzothiadiazole-6-carboxamide
D731-0014 Screening compound: N-(4-acetamidophenyl)-1,2,3-benzothiadiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0014
N-(4-acetamidophenyl)-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

D731-0014

Molecular Formula

C15H12N4O2S (C15 H12 N4 O2 S)

Compound Name

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

IUPAC name

N-(4-acetamidophenyl)-123-benzothiadiazole-6-carboxamide

SMILES

CC(Nc(cc1)ccc1NC(c(cc1)cc2c1nns2)=O)=O

InChI

InChI=1S/C15H12N4O2S/c1-9(20)16-11-3-5-12(6-4-11)17-15(21)10-2-7-13-14(8-10)22-19-18-13/h2-8H,1H3,(H,16,20)(H,17,21)

InChI Key

LEUNCLBIXZKKOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09983518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.196

Distribution Coefficient, logD

2.196

Water Solubility, LogSw

-2.94

Polar Surface Area

68.173

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D731-0014 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D731-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0014?
Check Price and Availability of D731-0014, 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 D731-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0014
  • 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 D731-0014 available by request