1523-5836 Screening compound: 4-[bis(2-chloroethyl)sulfamoyl]-N-(4-ethoxy-2-nitrophenyl)benzamide

1523-5836 Screening compound: 4-[bis(2-chloroethyl)sulfamoyl]-N-(4-ethoxy-2-nitrophenyl)benzamide
1523-5836 Screening compound: 4-[bis(2-chloroethyl)sulfamoyl]-N-(4-ethoxy-2-nitrophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1523-5836
4-[bis(2-chloroethyl)sulfamoyl]-N-(4-ethoxy-2-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

1523-5836

Molecular Formula

C19H21Cl2N3O6S (C19 H21 Cl2 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)cc([N+]([O-])=O)c1NC(c(cc1)ccc1S(N(CCCl)CCCl)(=O)=O)=O

InChI

InChI=1S/C19H21Cl2N3O6S/c1-2-30-15-5-8-17(18(13-15)24(26)27)22-19(25)14-3-6-16(7-4-14)31(28,29)23(11-9-20)12-10-21/h3-8,13H,2,9-12H2,1H3,(H,22,25)

InChI Key

VVNZXBSRQUAWJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.36

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.211

Distribution Coefficient, logD

3.284

Water Solubility, LogSw

-4.29

Polar Surface Area

94.440

Acid Dissociation Constant (pKa)

6.53

Base Dissociation Constant (pKb)

-5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

1523-5836 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 1523-5836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1523-5836?
Check Price and Availability of 1523-5836, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1523-5836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1523-5836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1523-5836
  • 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 1523-5836 available by request