8004-4778 Screening compound: (E)-N'-[(2,4-dinitrophenyl)amino]-N-(2-methyl-5-nitrophenyl)propanimidamide

8004-4778 Screening compound: (E)-N'-[(2,4-dinitrophenyl)amino]-N-(2-methyl-5-nitrophenyl)propanimidamide
8004-4778 Screening compound: (E)-N'-[(2,4-dinitrophenyl)amino]-N-(2-methyl-5-nitrophenyl)propanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4778
(E)-N'-[(2,4-dinitrophenyl)amino]-N-(2-methyl-5-nitrophenyl)propanimidamide

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

8004-4778

Molecular Formula

C16H16N6O6 (C16 H16 N6 O6)

Compound Name

(E)-N'-[(2,4-dinitrophenyl)amino]-N-(2-methyl-5-nitrophenyl)propanimidamide

IUPAC name

(E)-N'-[(24-dinitrophenyl)amino]-N-(2-methyl-5-nitrophenyl)propanimidamide

SMILES

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

InChI

InChI=1S/C16H16N6O6/c1-3-16(17-14-8-11(20(23)24)5-4-10(14)2)19-18-13-7-6-12(21(25)26)9-15(13)22(27)28/h4-9,18H,3H2,1-2H3,(H,17,19)

InChI Key

HSNFHLOKLQVCQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.34

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.623

Distribution Coefficient, logD

4.615

Water Solubility, LogSw

-4.41

Polar Surface Area

129.255

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 8004-4778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4778?
Check Price and Availability of 8004-4778, 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 8004-4778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4778
  • 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 8004-4778 available by request