8003-9872 Screening compound: methyl 2-[(3E)-3-{[2-(2,4-dinitrophenyl)acetamido]imino}butanamido]benzoate

8003-9872 Screening compound: methyl 2-[(3E)-3-{[2-(2,4-dinitrophenyl)acetamido]imino}butanamido]benzoate
8003-9872 Screening compound: methyl 2-[(3E)-3-{[2-(2,4-dinitrophenyl)acetamido]imino}butanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-9872
methyl 2-[(3E)-3-{[2-(2,4-dinitrophenyl)acetamido]imino}butanamido]benzoate

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

8003-9872

Molecular Formula

C20H19N5O8 (C20 H19 N5 O8)

Compound Name

methyl 2-[(3E)-3-{[2-(2,4-dinitrophenyl)acetamido]imino}butanamido]benzoate

IUPAC name

methyl 2-[(3E)-3-{[2-(24-dinitrophenyl)acetamido]imino}butanamido]benzoate

SMILES

C/C(/CC(Nc(cccc1)c1C(OC)=O)=O)=N\NC(Cc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C20H19N5O8/c1-12(9-18(26)21-16-6-4-3-5-15(16)20(28)33-2)22-23-19(27)10-13-7-8-14(24(29)30)11-17(13)25(31)32/h3-8,11H,9-10H2,1-2H3,(H,21,26)(H,23,27)

InChI Key

RCZVLCAYKUZYOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.4

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.573

Distribution Coefficient, logD

2.562

Water Solubility, LogSw

-3.26

Polar Surface Area

144.797

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8003-9872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-9872?
Check Price and Availability of 8003-9872, 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 8003-9872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-9872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-9872
  • 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 8003-9872 available by request