3272-1081 Screening compound: N'-[(E)-(2-chloro-7-methoxyquinolin-3-yl)methylidene]-2-{[(4-nitrophenyl)methyl]sulfanyl}acetohydrazide

3272-1081 Screening compound: N'-[(E)-(2-chloro-7-methoxyquinolin-3-yl)methylidene]-2-{[(4-nitrophenyl)methyl]sulfanyl}acetohydrazide
3272-1081 Screening compound: N'-[(E)-(2-chloro-7-methoxyquinolin-3-yl)methylidene]-2-{[(4-nitrophenyl)methyl]sulfanyl}acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3272-1081
N'-[(E)-(2-chloro-7-methoxyquinolin-3-yl)methylidene]-2-{[(4-nitrophenyl)methyl]sulfanyl}acetohydrazide

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

3272-1081

Molecular Formula

C20H17ClN4O4S (C20 H17 ClN4 O4 S)

Compound Name

N'-[(E)-(2-chloro-7-methoxyquinolin-3-yl)methylidene]-2-{[(4-nitrophenyl)methyl]sulfanyl}acetohydrazide

IUPAC name

N'-[(E)-(2-chloro-7-methoxyquinolin-3-yl)methylidene]-2-{[(4-nitrophenyl)methyl]sulfanyl}acetohydrazide

SMILES

COc1ccc(cc(/C=N/NC(CSCc(cc2)ccc2[N+]([O-])=O)=O)c(Cl)n2)c2c1

InChI

InChI=1S/C20H17ClN4O4S/c1-29-17-7-4-14-8-15(20(21)23-18(14)9-17)10-22-24-19(26)12-30-11-13-2-5-16(6-3-13)25(27)28/h2-10H,11-12H2,1H3,(H,24,26)

InChI Key

ISGMWUXXNIUOMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.9

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.639

Distribution Coefficient, logD

4.575

Water Solubility, LogSw

-4.89

Polar Surface Area

85.234

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3272-1081 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3272-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3272-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3272-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3272-1081
  • 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 3272-1081 available by request