8020-7871 Screening compound: 4-[(E)-2-chloro-1-[(E)hydrazonomethyl]-2-(4-methylphenyl)-1-ethenyl]-2-cyano-5-nitrophenyl cyanide

8020-7871 Screening compound: 4-[(E)-2-chloro-1-[(E)hydrazonomethyl]-2-(4-methylphenyl)-1-ethenyl]-2-cyano-5-nitrophenyl cyanide
8020-7871 Screening compound: 4-[(E)-2-chloro-1-[(E)hydrazonomethyl]-2-(4-methylphenyl)-1-ethenyl]-2-cyano-5-nitrophenyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-7871
4-[(E)-2-chloro-1-[(E)hydrazonomethyl]-2-(4-methylphenyl)-1-ethenyl]-2-cyano-5-nitrophenyl 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

8020-7871

Molecular Formula

C18H12ClN5O2 (C18 H12 ClN5 O2)

Compound Name

4-[(E)-2-chloro-1-[(E)hydrazonomethyl]-2-(4-methylphenyl)-1-ethenyl]-2-cyano-5-nitrophenyl cyanide

IUPAC name

4-[(1E3E)-1-chloro-3-hydrazinylidene-1-(4-methylphenyl)prop-1-en-2-yl]-5-nitrobenzene-12-dicarbonitrile

SMILES

Cc(cc1)ccc1/C(/Cl)=C(\C=N\N)/c(cc(c(C#N)c1)C#N)c1[N+]([O-])=O

InChI

InChI=1S/C18H12ClN5O2/c1-11-2-4-12(5-3-11)18(19)16(10-23-22)15-6-13(8-20)14(9-21)7-17(15)24(25)26/h2-7,10H,22H2,1H3

InChI Key

DFESXYXKOWTYIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30711414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.726

Distribution Coefficient, logD

3.726

Water Solubility, LogSw

-4.38

Polar Surface Area

97.992

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.56

References: we are preparing a list of scientific research reports with 8020-7871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-7871?
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What is the minimum amount of 8020-7871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-7871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-7871
  • 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 8020-7871 available by request