2280-5190 Screening compound: 1-{[(4-chlorophenyl)(4-methylbenzenesulfonyl)carbamoyl]amino}-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}formamide

2280-5190 Screening compound: 1-{[(4-chlorophenyl)(4-methylbenzenesulfonyl)carbamoyl]amino}-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}formamide
2280-5190 Screening compound: 1-{[(4-chlorophenyl)(4-methylbenzenesulfonyl)carbamoyl]amino}-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}formamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2280-5190
1-{[(4-chlorophenyl)(4-methylbenzenesulfonyl)carbamoyl]amino}-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}formamide

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

2280-5190

Molecular Formula

C27H25ClN6O6S2 (C27 H25 ClN6 O6 S2)

Compound Name

1-{[(4-chlorophenyl)(4-methylbenzenesulfonyl)carbamoyl]amino}-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}formamide

IUPAC name

1-{[(4-chlorophenyl)(4-methylbenzenesulfonyl)carbamoyl]amino}-N-{4-[(46-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}formamide

SMILES

Cc(cc1)ccc1S(N(C(NC(Nc(cc1)ccc1S(Nc1nc(C)cc(C)n1)(=O)=O)=O)=O)c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C27H25ClN6O6S2/c1-17-4-12-24(13-5-17)42(39,40)34(22-10-6-20(28)7-11-22)27(36)32-26(35)31-21-8-14-23(15-9-21)41(37,38)33-25-29-18(2)16-19(3)30-25/h4-16H,1-3H3,(H,29,30,33)(H2,31,32,35,36)

InChI Key

SJRMTFAVZLYBCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.12

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.712

Distribution Coefficient, logD

4.230

Water Solubility, LogSw

-4.87

Polar Surface Area

137.725

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2280-5190 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 2280-5190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2280-5190?
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What is the minimum amount of 2280-5190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2280-5190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2280-5190
  • 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 2280-5190 available by request