8001-9971 Screening compound: 2-[(Z)-{[(3-methylphenyl)formamido]imino}methyl]phenyl 3,5-dinitrobenzoate

8001-9971 Screening compound: 2-[(Z)-{[(3-methylphenyl)formamido]imino}methyl]phenyl 3,5-dinitrobenzoate
8001-9971 Screening compound: 2-[(Z)-{[(3-methylphenyl)formamido]imino}methyl]phenyl 3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-9971
2-[(Z)-{[(3-methylphenyl)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

8001-9971

Molecular Formula

C22H16N4O7 (C22 H16 N4 O7)

Compound Name

2-[(Z)-{[(3-methylphenyl)formamido]imino}methyl]phenyl 3,5-dinitrobenzoate

IUPAC name

2-[(Z)-{[(3-methylphenyl)formamido]imino}methyl]phenyl 35-dinitrobenzoate

SMILES

Cc1cccc(C(N/N=C\c(cccc2)c2OC(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2)=O)=O)c1

InChI

InChI=1S/C22H16N4O7/c1-14-5-4-7-15(9-14)21(27)24-23-13-16-6-2-3-8-20(16)33-22(28)17-10-18(25(29)30)12-19(11-17)26(31)32/h2-13H,1H3,(H,24,27)

InChI Key

CUSCTGHJSCSCMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00757664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.39

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.311

Distribution Coefficient, logD

4.262

Water Solubility, LogSw

-4.51

Polar Surface Area

122.782

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 8001-9971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-9971?
Check Price and Availability of 8001-9971, 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 8001-9971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-9971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-9971
  • 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 8001-9971 available by request