8003-9757 Screening compound: (3E)-3-{[2-(2,4-dinitrophenyl)acetamido]imino}-N-(2-methylphenyl)butanamide

8003-9757 Screening compound: (3E)-3-{[2-(2,4-dinitrophenyl)acetamido]imino}-N-(2-methylphenyl)butanamide
8003-9757 Screening compound: (3E)-3-{[2-(2,4-dinitrophenyl)acetamido]imino}-N-(2-methylphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-9757
(3E)-3-{[2-(2,4-dinitrophenyl)acetamido]imino}-N-(2-methylphenyl)butanamide

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

8003-9757

Molecular Formula

C19H19N5O6 (C19 H19 N5 O6)

Compound Name

(3E)-3-{[2-(2,4-dinitrophenyl)acetamido]imino}-N-(2-methylphenyl)butanamide

IUPAC name

(3E)-3-{[2-(24-dinitrophenyl)acetamido]imino}-N-(2-methylphenyl)butanamide

SMILES

C/C(/CC(Nc1c(C)cccc1)=O)=N\NC(Cc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C19H19N5O6/c1-12-5-3-4-6-16(12)20-18(25)9-13(2)21-22-19(26)10-14-7-8-15(23(27)28)11-17(14)24(29)30/h3-8,11H,9-10H2,1-2H3,(H,20,25)(H,22,26)

InChI Key

AZJPQPLQMCXTBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00736576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.39

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.643

Distribution Coefficient, logD

2.642

Water Solubility, LogSw

-3.03

Polar Surface Area

123.623

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

8003-9757 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-9757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-9757?
Check Price and Availability of 8003-9757, 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 8003-9757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-9757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-9757
  • 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 8003-9757 available by request