8004-9597 Screening compound: 2,4,5-trichloro-6-{2-[(E)-1-(4-chloro-3-nitrophenyl)methylidene]hydrazino}-3-pyridyl cyanide

8004-9597 Screening compound: 2,4,5-trichloro-6-{2-[(E)-1-(4-chloro-3-nitrophenyl)methylidene]hydrazino}-3-pyridyl cyanide
8004-9597 Screening compound: 2,4,5-trichloro-6-{2-[(E)-1-(4-chloro-3-nitrophenyl)methylidene]hydrazino}-3-pyridyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9597
2,4,5-trichloro-6-{2-[(E)-1-(4-chloro-3-nitrophenyl)methylidene]hydrazino}-3-pyridyl cyanide

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

8004-9597

Molecular Formula

C13H5Cl4N5O2 (C13 H5 Cl4 N5 O2)

Compound Name

2,4,5-trichloro-6-{2-[(E)-1-(4-chloro-3-nitrophenyl)methylidene]hydrazino}-3-pyridyl cyanide

IUPAC name

245-trichloro-6-[(2E)-2-[(4-chloro-3-nitrophenyl)methylidene]hydrazin-1-yl]pyridine-3-carbonitrile

SMILES

N#Cc(c(Cl)nc(N/N=C/c(cc1)cc([N+]([O-])=O)c1Cl)c1Cl)c1Cl

InChI

InChI=1S/C13H5Cl4N5O2/c14-8-2-1-6(3-9(8)22(23)24)5-19-21-13-11(16)10(15)7(4-18)12(17)20-13/h1-3,5H,(H,20,21)

InChI Key

KRFCWRAQVHSAMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00746998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.835

Distribution Coefficient, logD

3.837

Water Solubility, LogSw

-5.87

Polar Surface Area

81.405

Acid Dissociation Constant (pKa)

6.45

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-9597 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-9597 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8004-9597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9597
  • 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 8004-9597 available by request