1601-0131 Screening compound: 4-methyl-N-({N'-[(1Z)-1-(3-nitrophenyl)ethylidene]hydrazinecarbonyl}methyl)benzene-1-sulfonamide

1601-0131 Screening compound: 4-methyl-N-({N'-[(1Z)-1-(3-nitrophenyl)ethylidene]hydrazinecarbonyl}methyl)benzene-1-sulfonamide
1601-0131 Screening compound: 4-methyl-N-({N'-[(1Z)-1-(3-nitrophenyl)ethylidene]hydrazinecarbonyl}methyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1601-0131
4-methyl-N-({N'-[(1Z)-1-(3-nitrophenyl)ethylidene]hydrazinecarbonyl}methyl)benzene-1-sulfonamide

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

1601-0131

Molecular Formula

C17H18N4O5S (C17 H18 N4 O5 S)

Compound Name

4-methyl-N-({N'-[(1Z)-1-(3-nitrophenyl)ethylidene]hydrazinecarbonyl}methyl)benzene-1-sulfonamide

IUPAC name

4-methyl-N-({N'-[(1Z)-1-(3-nitrophenyl)ethylidene]hydrazinecarbonyl}methyl)benzene-1-sulfonamide

SMILES

C/C(/c1cc([N+]([O-])=O)ccc1)=N/NC(CNS(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C17H18N4O5S/c1-12-6-8-16(9-7-12)27(25,26)18-11-17(22)20-19-13(2)14-4-3-5-15(10-14)21(23)24/h3-10,18H,11H2,1-2H3,(H,20,22)

InChI Key

DGHSJUHYQYXTCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01208202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.886

Distribution Coefficient, logD

2.883

Water Solubility, LogSw

-3.57

Polar Surface Area

110.040

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

1601-0131 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1601-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1601-0131?
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What is the minimum amount of 1601-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1601-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1601-0131
  • 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 1601-0131 available by request