C113-0367 Screening compound: N-[4-(5-chloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide

C113-0367 Screening compound: N-[4-(5-chloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide
C113-0367 Screening compound: N-[4-(5-chloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C113-0367
N-[4-(5-chloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide

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

C113-0367

Molecular Formula

C21H13ClN4O4S2 (C21 H13 ClN4 O4 S2)

Compound Name

N-[4-(5-chloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-[4-(5-chloro-13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-methylphenyl]-213-benzothiadiazole-4-sulfonamide

SMILES

Cc(cc(cc1)NS(c2cccc3nsnc23)(=O)=O)c1N(C(c(cc1)c2cc1Cl)=O)C2=O

InChI

InChI=1S/C21H13ClN4O4S2/c1-11-9-13(25-32(29,30)18-4-2-3-16-19(18)24-31-23-16)6-8-17(11)26-20(27)14-7-5-12(22)10-15(14)21(26)28/h2-10,25H,1H3

InChI Key

MYQKJOPMSFNQJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.689

Distribution Coefficient, logD

4.671

Water Solubility, LogSw

-4.80

Polar Surface Area

90.181

Acid Dissociation Constant (pKa)

8.79

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

C113-0367 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C113-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C113-0367?
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What is the minimum amount of C113-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C113-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C113-0367
  • 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 C113-0367 available by request