0338-0063 Screening compound: N-({N'-[(E)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]hydrazinecarbonyl}methyl)benzenesulfonamide

0338-0063 Screening compound: N-({N'-[(E)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]hydrazinecarbonyl}methyl)benzenesulfonamide
0338-0063 Screening compound: N-({N'-[(E)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]hydrazinecarbonyl}methyl)benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0338-0063
N-({N'-[(E)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]hydrazinecarbonyl}methyl)benzenesulfonamide

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

0338-0063

Molecular Formula

C19H22Cl2N4O3S (C19 H22 Cl2 N4 O3 S)

Compound Name

N-({N'-[(E)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]hydrazinecarbonyl}methyl)benzenesulfonamide

IUPAC name

N-({N'-[(E)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]hydrazinecarbonyl}methyl)benzenesulfonamide

SMILES

O=C(CNS(c1ccccc1)(=O)=O)N/N=C/c(cc1)ccc1N(CCCl)CCCl

InChI

InChI=1S/C19H22Cl2N4O3S/c20-10-12-25(13-11-21)17-8-6-16(7-9-17)14-22-24-19(26)15-23-29(27,28)18-4-2-1-3-5-18/h1-9,14,23H,10-13,15H2,(H,24,26)

InChI Key

VWHHOQMXSXLIBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00339972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

2.960

Water Solubility, LogSw

-3.45

Polar Surface Area

80.614

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

0338-0063 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 0338-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0338-0063?
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What is the minimum amount of 0338-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0338-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0338-0063
  • 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 0338-0063 available by request