4600-1800 Screening compound: 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-{4-[(2,5-dimethylphenyl)sulfamoyl]phenyl}benzamide

4600-1800 Screening compound: 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-{4-[(2,5-dimethylphenyl)sulfamoyl]phenyl}benzamide
4600-1800 Screening compound: 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-{4-[(2,5-dimethylphenyl)sulfamoyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4600-1800
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-{4-[(2,5-dimethylphenyl)sulfamoyl]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

4600-1800

Molecular Formula

C31H29N3O4S2 (C31 H29 N3 O4 S2)

Compound Name

4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-{4-[(2,5-dimethylphenyl)sulfamoyl]phenyl}benzamide

IUPAC name

4-(3-benzyl-4-oxo-13-thiazolidin-2-yl)-N-{4-[(25-dimethylphenyl)sulfamoyl]phenyl}benzamide

SMILES

Cc1cc(NS(c(cc2)ccc2NC(c2ccc(C(N3Cc4ccccc4)SCC3=O)cc2)=O)(=O)=O)c(C)cc1

InChI

InChI=1S/C31H29N3O4S2/c1-21-8-9-22(2)28(18-21)33-40(37,38)27-16-14-26(15-17-27)32-30(36)24-10-12-25(13-11-24)31-34(29(35)20-39-31)19-23-6-4-3-5-7-23/h3-18,31,33H,19-20H2,1-2H3,(H,32,36)/t31-/m0/s1

InChI Key

ZWUMKNGKSKBFEZ-HKBQPEDESA-N

MDL Number (MFCD)

MFCD05039902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.72

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.175

Distribution Coefficient, logD

5.167

Water Solubility, LogSw

-5.00

Polar Surface Area

79.787

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

References: we are preparing a list of scientific research reports with 4600-1800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4600-1800?
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What is the minimum amount of 4600-1800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4600-1800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4600-1800
  • 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 4600-1800 available by request