8004-6456 Screening compound: 2-nitro-4-[(E)-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}imino)methyl]phenyl 2-(naphthalen-1-yl)acetate

8004-6456 Screening compound: 2-nitro-4-[(E)-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}imino)methyl]phenyl 2-(naphthalen-1-yl)acetate
8004-6456 Screening compound: 2-nitro-4-[(E)-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}imino)methyl]phenyl 2-(naphthalen-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-6456
2-nitro-4-[(E)-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}imino)methyl]phenyl 2-(naphthalen-1-yl)acetate

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

8004-6456

Molecular Formula

C31H22N4O4 (C31 H22 N4 O4)

Compound Name

2-nitro-4-[(E)-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}imino)methyl]phenyl 2-(naphthalen-1-yl)acetate

IUPAC name

2-nitro-4-[(E)-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}imino)methyl]phenyl 2-(naphthalen-1-yl)acetate

SMILES

[O-][N+](c(cc(/C=N/c(cc1)ccc1/N=N/c1ccccc1)cc1)c1OC(Cc1cccc2ccccc12)=O)=O

InChI

InChI=1S/C31H22N4O4/c36-31(20-24-9-6-8-23-7-4-5-12-28(23)24)39-30-18-13-22(19-29(30)35(37)38)21-32-25-14-16-27(17-15-25)34-33-26-10-2-1-3-11-26/h1-19,21H,20H2

InChI Key

WXNMELASBSCIDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00740044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.242

Distribution Coefficient, logD

7.242

Water Solubility, LogSw

-7.20

Polar Surface Area

82.732

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.20

References: we are preparing a list of scientific research reports with 8004-6456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-6456?
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What is the minimum amount of 8004-6456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-6456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-6456
  • 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 8004-6456 available by request