0868-0098 Screening compound: 3-[(4-iodo-2-methylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide

0868-0098 Screening compound: 3-[(4-iodo-2-methylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide
0868-0098 Screening compound: 3-[(4-iodo-2-methylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0868-0098
3-[(4-iodo-2-methylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)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

0868-0098

Molecular Formula

C22H21IN2O3S (C22 H21 IN2 O3 S)

Compound Name

3-[(4-iodo-2-methylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide

IUPAC name

3-[(4-iodo-2-methylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide

SMILES

Cc(cccc1)c1NC(c1cc(S(Nc(cc2)c(C)cc2I)(=O)=O)c(C)cc1)=O

InChI

InChI=1S/C22H21IN2O3S/c1-14-6-4-5-7-19(14)24-22(26)17-9-8-15(2)21(13-17)29(27,28)25-20-11-10-18(23)12-16(20)3/h4-13,25H,1-3H3,(H,24,26)

InChI Key

QWTBMCPRMJTLII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00336988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.906

Distribution Coefficient, logD

4.495

Water Solubility, LogSw

-5.56

Polar Surface Area

62.584

Acid Dissociation Constant (pKa)

6.01

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

0868-0098 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0868-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0868-0098?
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What is the minimum amount of 0868-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0868-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0868-0098
  • 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 0868-0098 available by request