8006-0565 Screening compound: (3E)-3-{[(3-nitrophenyl)formamido]imino}-N-(prop-2-en-1-yl)butanamide

8006-0565 Screening compound: (3E)-3-{[(3-nitrophenyl)formamido]imino}-N-(prop-2-en-1-yl)butanamide
8006-0565 Screening compound: (3E)-3-{[(3-nitrophenyl)formamido]imino}-N-(prop-2-en-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-0565
(3E)-3-{[(3-nitrophenyl)formamido]imino}-N-(prop-2-en-1-yl)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

8006-0565

Molecular Formula

C14H16N4O4 (C14 H16 N4 O4)

Compound Name

(3E)-3-{[(3-nitrophenyl)formamido]imino}-N-(prop-2-en-1-yl)butanamide

IUPAC name

(3E)-3-{[(3-nitrophenyl)formamido]imino}-N-(prop-2-en-1-yl)butanamide

SMILES

C/C(/CC(NCC=C)=O)=N\NC(c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C14H16N4O4/c1-3-7-15-13(19)8-10(2)16-17-14(20)11-5-4-6-12(9-11)18(21)22/h3-6,9H,1,7-8H2,2H3,(H,15,19)(H,17,20)

InChI Key

VCEAZLMGQWQWBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.995

Distribution Coefficient, logD

0.884

Water Solubility, LogSw

-2.26

Polar Surface Area

92.889

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 8006-0565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-0565?
Check Price and Availability of 8006-0565, 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 8006-0565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-0565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-0565
  • 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 8006-0565 available by request