1488-0199 Screening compound: 4-[bis(2-chloroethyl)sulfamoyl]-N-(4-nitrophenyl)benzamide

1488-0199 Screening compound: 4-[bis(2-chloroethyl)sulfamoyl]-N-(4-nitrophenyl)benzamide
1488-0199 Screening compound: 4-[bis(2-chloroethyl)sulfamoyl]-N-(4-nitrophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1488-0199
4-[bis(2-chloroethyl)sulfamoyl]-N-(4-nitrophenyl)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

1488-0199

Molecular Formula

C17H17Cl2N3O5S (C17 H17 Cl2 N3 O5 S)

Compound Name

4-[bis(2-chloroethyl)sulfamoyl]-N-(4-nitrophenyl)benzamide

IUPAC name

4-[bis(2-chloroethyl)sulfamoyl]-N-(4-nitrophenyl)benzamide

SMILES

[O-][N+](c(cc1)ccc1NC(c(cc1)ccc1S(N(CCCl)CCCl)(=O)=O)=O)=O

InChI

InChI=1S/C17H17Cl2N3O5S/c18-9-11-21(12-10-19)28(26,27)16-7-1-13(2-8-16)17(23)20-14-3-5-15(6-4-14)22(24)25/h1-8H,9-12H2,(H,20,23)

InChI Key

FTLVPCJLWVYTBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.406

Distribution Coefficient, logD

3.253

Water Solubility, LogSw

-3.80

Polar Surface Area

88.315

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

1488-0199 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1488-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1488-0199?
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What is the minimum amount of 1488-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1488-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1488-0199
  • 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 1488-0199 available by request