3896-0130 Screening compound: (4-methylphenyl)formamido (2Z)-3-[(4-methoxyphenyl)amino]but-2-enoate

3896-0130 Screening compound: (4-methylphenyl)formamido (2Z)-3-[(4-methoxyphenyl)amino]but-2-enoate
3896-0130 Screening compound: (4-methylphenyl)formamido (2Z)-3-[(4-methoxyphenyl)amino]but-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3896-0130
(4-methylphenyl)formamido (2Z)-3-[(4-methoxyphenyl)amino]but-2-enoate

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

3896-0130

Molecular Formula

C19H20N2O4 (C19 H20 N2 O4)

Compound Name

(4-methylphenyl)formamido (2Z)-3-[(4-methoxyphenyl)amino]but-2-enoate

IUPAC name

(4-methylphenyl)formamido (2Z)-3-[(4-methoxyphenyl)amino]but-2-enoate

SMILES

C/C(/Nc(cc1)ccc1OC)=C/C(ONC(c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C19H20N2O4/c1-13-4-6-15(7-5-13)19(23)21-25-18(22)12-14(2)20-16-8-10-17(24-3)11-9-16/h4-12,20H,1-3H3,(H,21,23)

InChI Key

PIKPNOXGIFDOJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.702

Distribution Coefficient, logD

-0.646

Water Solubility, LogSw

-3.34

Polar Surface Area

61.618

Acid Dissociation Constant (pKa)

4.14

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 3896-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3896-0130?
Check Price and Availability of 3896-0130, 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 3896-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3896-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3896-0130
  • 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 3896-0130 available by request