0781-2504 Screening compound: 4-chloro-2-[(E)-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl]-3,5-dimethylphenol

0781-2504 Screening compound: 4-chloro-2-[(E)-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl]-3,5-dimethylphenol
0781-2504 Screening compound: 4-chloro-2-[(E)-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl]-3,5-dimethylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-2504
4-chloro-2-[(E)-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl]-3,5-dimethylphenol

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

0781-2504

Molecular Formula

C15H13ClN4O5 (C15 H13 ClN4 O5)

Compound Name

4-chloro-2-[(E)-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl]-3,5-dimethylphenol

IUPAC name

4-chloro-2-[(E)-[2-(24-dinitrophenyl)hydrazin-1-ylidene]methyl]-35-dimethylphenol

SMILES

Cc1cc(O)c(/C=N/Nc(ccc([N+]([O-])=O)c2)c2[N+]([O-])=O)c(C)c1Cl

InChI

InChI=1S/C15H13ClN4O5/c1-8-5-14(21)11(9(2)15(8)16)7-17-18-12-4-3-10(19(22)23)6-13(12)20(24)25/h3-7,18,21H,1-2H3

InChI Key

WPTOMGHEENWPGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00694933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.74

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.026

Distribution Coefficient, logD

4.936

Water Solubility, LogSw

-4.71

Polar Surface Area

103.688

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

0781-2504 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0781-2504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-2504?
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What is the minimum amount of 0781-2504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-2504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-2504
  • 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 0781-2504 available by request