2513-3728 Screening compound: 4-(diethylsulfamoyl)-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide

2513-3728 Screening compound: 4-(diethylsulfamoyl)-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide
2513-3728 Screening compound: 4-(diethylsulfamoyl)-N-[5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-3728
4-(diethylsulfamoyl)-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

2513-3728

Molecular Formula

C20H20N4O7S3 (C20 H20 N4 O7 S3)

Compound Name

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

IUPAC name

4-(diethylsulfamoyl)-N-[5-(4-nitrobenzenesulfonyl)-13-thiazol-2-yl]benzamide

SMILES

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

InChI

InChI=1S/C20H20N4O7S3/c1-3-23(4-2)34(30,31)17-9-5-14(6-10-17)19(25)22-20-21-13-18(32-20)33(28,29)16-11-7-15(8-12-16)24(26)27/h5-13H,3-4H2,1-2H3,(H,21,22,25)

InChI Key

WZWFRVGPIYGQPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.6

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.476

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.77

Polar Surface Area

127.876

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2513-3728 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 2513-3728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-3728?
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What is the minimum amount of 2513-3728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-3728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-3728
  • 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 2513-3728 available by request