0975-0057 Screening compound: N'1-[4-(2-chloroethyl)benzenesulfonyl]-N'-phenylethanedihydrazide

0975-0057 Screening compound: N'1-[4-(2-chloroethyl)benzenesulfonyl]-N'-phenylethanedihydrazide
0975-0057 Screening compound: N'1-[4-(2-chloroethyl)benzenesulfonyl]-N'-phenylethanedihydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0975-0057
N'1-[4-(2-chloroethyl)benzenesulfonyl]-N'-phenylethanedihydrazide

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

0975-0057

Molecular Formula

C16H17ClN4O4S (C16 H17 ClN4 O4 S)

Compound Name

N'1-[4-(2-chloroethyl)benzenesulfonyl]-N'-phenylethanedihydrazide

IUPAC name

N'1-[4-(2-chloroethyl)benzenesulfonyl]-N'-phenylethanedihydrazide

SMILES

O=C(C(NNS(c1ccc(CCCl)cc1)(=O)=O)=O)NNc1ccccc1

InChI

InChI=1S/C16H17ClN4O4S/c17-11-10-12-6-8-14(9-7-12)26(24,25)21-20-16(23)15(22)19-18-13-4-2-1-3-5-13/h1-9,18,21H,10-11H2,(H,19,22)(H,20,23)

InChI Key

NJMFPIVCPGHDRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.85

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.430

Distribution Coefficient, logD

1.162

Water Solubility, LogSw

-2.18

Polar Surface Area

103.998

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0975-0057 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0975-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0975-0057?
Check Price and Availability of 0975-0057, 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 0975-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0975-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0975-0057
  • 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 0975-0057 available by request