2513-3752 Screening compound: 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide

2513-3752 Screening compound: 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide
2513-3752 Screening compound: 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-3752
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]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

2513-3752

Molecular Formula

C22H24N4O9S3 (C22 H24 N4 O9 S3)

Compound Name

4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide

IUPAC name

4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(4-nitrobenzenesulfonyl)-13-thiazol-2-yl]benzamide

SMILES

COCCN(CCOC)S(c(cc1)ccc1C(Nc(s1)ncc1S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)=O)(=O)=O

InChI

InChI=1S/C22H24N4O9S3/c1-34-13-11-25(12-14-35-2)38(32,33)19-7-3-16(4-8-19)21(27)24-22-23-15-20(36-22)37(30,31)18-9-5-17(6-10-18)26(28)29/h3-10,15H,11-14H2,1-2H3,(H,23,24,27)

InChI Key

QPHXBPRZRRSCIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.65

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.841

Distribution Coefficient, logD

2.535

Water Solubility, LogSw

-3.60

Polar Surface Area

145.069

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

2513-3752 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2513-3752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-3752?
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What is the minimum amount of 2513-3752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-3752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-3752
  • 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 2513-3752 available by request