0141-0290 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-5-chloro-N-[4-(cyanomethyl)phenyl]benzamide

0141-0290 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-5-chloro-N-[4-(cyanomethyl)phenyl]benzamide
0141-0290 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-5-chloro-N-[4-(cyanomethyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0141-0290
2-(2,1,3-benzothiadiazole-4-sulfonamido)-5-chloro-N-[4-(cyanomethyl)phenyl]benzamide

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

0141-0290

Molecular Formula

C21H14ClN5O3S2 (C21 H14 ClN5 O3 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-5-chloro-N-[4-(cyanomethyl)phenyl]benzamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-5-chloro-N-[4-(cyanomethyl)phenyl]benzamide

SMILES

N#CCc(cc1)ccc1NC(c(cc(cc1)Cl)c1NS(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C21H14ClN5O3S2/c22-14-6-9-17(27-32(29,30)19-3-1-2-18-20(19)26-31-25-18)16(12-14)21(28)24-15-7-4-13(5-8-15)10-11-23/h1-9,12,27H,10H2,(H,24,28)

InChI Key

QONQHVSNLFKJGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.704

Distribution Coefficient, logD

2.007

Water Solubility, LogSw

-4.38

Polar Surface Area

101.726

Acid Dissociation Constant (pKa)

5.71

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 0141-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0141-0290?
Check Price and Availability of 0141-0290, 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 0141-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0141-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0141-0290
  • 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 0141-0290 available by request