4234-0329 Screening compound: [(1E,4E)-4-{[(2-hydroxyphenyl)formamido]imino}cyclohexa-2,5-dien-1-ylidene]amino 4-nitrobenzoate

4234-0329 Screening compound: [(1E,4E)-4-{[(2-hydroxyphenyl)formamido]imino}cyclohexa-2,5-dien-1-ylidene]amino 4-nitrobenzoate
4234-0329 Screening compound: [(1E,4E)-4-{[(2-hydroxyphenyl)formamido]imino}cyclohexa-2,5-dien-1-ylidene]amino 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4234-0329
[(1E,4E)-4-{[(2-hydroxyphenyl)formamido]imino}cyclohexa-2,5-dien-1-ylidene]amino 4-nitrobenzoate

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

4234-0329

Molecular Formula

C20H14N4O6 (C20 H14 N4 O6)

Compound Name

[(1E,4E)-4-{[(2-hydroxyphenyl)formamido]imino}cyclohexa-2,5-dien-1-ylidene]amino 4-nitrobenzoate

IUPAC name

[(1E4E)-4-{[(2-hydroxyphenyl)formamido]imino}cyclohexa-25-dien-1-ylidene]amino 4-nitrobenzoate

SMILES

[O-][N+](c(cc1)ccc1C(O/N=C(\C=C1)/C=C/C1=N\NC(c(cccc1)c1O)=O)=O)=O

InChI

InChI=1S/C20H14N4O6/c25-18-4-2-1-3-17(18)19(26)22-21-14-7-9-15(10-8-14)23-30-20(27)13-5-11-16(12-6-13)24(28)29/h1-12,25H,(H,22,26)

InChI Key

AJZCXUHORUQPMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00990897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.35

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.900

Distribution Coefficient, logD

3.402

Water Solubility, LogSw

-4.20

Polar Surface Area

117.771

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

8.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4234-0329 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4234-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4234-0329?
Check Price and Availability of 4234-0329, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4234-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4234-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4234-0329
  • 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 4234-0329 available by request