8004-4492 Screening compound: 4-[(E)-{[(4-methoxyphenyl)formamido]imino}methyl]-2-nitrophenyl 3-methylbenzoate

8004-4492 Screening compound: 4-[(E)-{[(4-methoxyphenyl)formamido]imino}methyl]-2-nitrophenyl 3-methylbenzoate
8004-4492 Screening compound: 4-[(E)-{[(4-methoxyphenyl)formamido]imino}methyl]-2-nitrophenyl 3-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4492
4-[(E)-{[(4-methoxyphenyl)formamido]imino}methyl]-2-nitrophenyl 3-methylbenzoate

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

8004-4492

Molecular Formula

C23H19N3O6 (C23 H19 N3 O6)

Compound Name

4-[(E)-{[(4-methoxyphenyl)formamido]imino}methyl]-2-nitrophenyl 3-methylbenzoate

IUPAC name

4-[(E)-{[(4-methoxyphenyl)formamido]imino}methyl]-2-nitrophenyl 3-methylbenzoate

SMILES

Cc1cccc(C(Oc(ccc(/C=N/NC(c(cc2)ccc2OC)=O)c2)c2[N+]([O-])=O)=O)c1

InChI

InChI=1S/C23H19N3O6/c1-15-4-3-5-18(12-15)23(28)32-21-11-6-16(13-20(21)26(29)30)14-24-25-22(27)17-7-9-19(31-2)10-8-17/h3-14H,1-2H3,(H,25,27)

InChI Key

OCYSNQFMUXGUDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.098

Distribution Coefficient, logD

4.091

Water Solubility, LogSw

-4.50

Polar Surface Area

96.643

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 8004-4492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4492?
Check Price and Availability of 8004-4492, 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 8004-4492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4492
  • 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 8004-4492 available by request