8004-6450 Screening compound: 2-nitro-4-[(E)-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}imino)methyl]phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

8004-6450 Screening compound: 2-nitro-4-[(E)-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}imino)methyl]phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
8004-6450 Screening compound: 2-nitro-4-[(E)-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}imino)methyl]phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-6450
2-nitro-4-[(E)-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}imino)methyl]phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

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

8004-6450

Molecular Formula

C30H24N4O6 (C30 H24 N4 O6)

Compound Name

2-nitro-4-[(E)-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}imino)methyl]phenyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

IUPAC name

2-nitro-4-[(E)-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}imino)methyl]phenyl (2E)-3-(34-dimethoxyphenyl)prop-2-enoate

SMILES

COc(ccc(/C=C/C(Oc(ccc(/C=N/c(cc1)ccc1/N=N/c1ccccc1)c1)c1[N+]([O-])=O)=O)c1)c1OC

InChI

InChI=1S/C30H24N4O6/c1-38-28-16-8-21(19-29(28)39-2)10-17-30(35)40-27-15-9-22(18-26(27)34(36)37)20-31-23-11-13-25(14-12-23)33-32-24-6-4-3-5-7-24/h3-20H,1-2H3

InChI Key

JHBYQJNWNLPBMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00740041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.204

Distribution Coefficient, logD

6.204

Water Solubility, LogSw

-5.60

Polar Surface Area

98.264

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8004-6450 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 8004-6450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-6450?
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What is the minimum amount of 8004-6450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-6450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-6450
  • 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 8004-6450 available by request