8003-5062 Screening compound: 3-[(E)-{[(4-hydroxyphenyl)formamido]imino}methyl]phenyl 3,5-dinitrobenzoate

8003-5062 Screening compound: 3-[(E)-{[(4-hydroxyphenyl)formamido]imino}methyl]phenyl 3,5-dinitrobenzoate
8003-5062 Screening compound: 3-[(E)-{[(4-hydroxyphenyl)formamido]imino}methyl]phenyl 3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5062
3-[(E)-{[(4-hydroxyphenyl)formamido]imino}methyl]phenyl 3,5-dinitrobenzoate

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

8003-5062

Molecular Formula

C21H14N4O8 (C21 H14 N4 O8)

Compound Name

3-[(E)-{[(4-hydroxyphenyl)formamido]imino}methyl]phenyl 3,5-dinitrobenzoate

IUPAC name

3-[(E)-{[(4-hydroxyphenyl)formamido]imino}methyl]phenyl 35-dinitrobenzoate

SMILES

[O-][N+](c1cc(C(Oc2cc(/C=N/NC(c(cc3)ccc3O)=O)ccc2)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C21H14N4O8/c26-18-6-4-14(5-7-18)20(27)23-22-12-13-2-1-3-19(8-13)33-21(28)15-9-16(24(29)30)11-17(10-15)25(31)32/h1-12,26H,(H,23,27)

InChI Key

PMUSUPZWMPYWGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00735293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.36

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.115

Distribution Coefficient, logD

3.088

Water Solubility, LogSw

-3.51

Polar Surface Area

140.312

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8003-5062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5062?
Check Price and Availability of 8003-5062, 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 8003-5062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5062
  • 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 8003-5062 available by request