G845-0010F Screening compound: 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~1~-(3-pyridyl)acetamide

G845-0010F Screening compound: 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~1~-(3-pyridyl)acetamide
G845-0010F Screening compound: 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~1~-(3-pyridyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G845-0010F
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~1~-(3-pyridyl)acetamide

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

G845-0010F

Molecular Formula

C13H10N4O3S2 (C13 H10 N4 O3 S2)

Compound Name

2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~1~-(3-pyridyl)acetamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonyl)-N-(pyridin-3-yl)acetamide

SMILES

O=C(CS(c1cccc2nsnc12)(=O)=O)Nc1cnccc1

InChI

InChI=1S/C13H10N4O3S2/c18-12(15-9-3-2-6-14-7-9)8-22(19,20)11-5-1-4-10-13(11)17-21-16-10/h1-7H,8H2,(H,15,18)

InChI Key

DLEMFEPOWCGQKO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.305

Distribution Coefficient, logD

1.305

Water Solubility, LogSw

-1.66

Polar Surface Area

82.623

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

G845-0010F in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G845-0010F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G845-0010F?
Check Price and Availability of G845-0010F, 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 G845-0010F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G845-0010F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G845-0010F
  • 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 G845-0010F available by request