1831-7381 Screening compound: (2Z)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

1831-7381 Screening compound: (2Z)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
1831-7381 Screening compound: (2Z)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1831-7381
(2Z)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

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

1831-7381

Molecular Formula

C13H14N2O4 (C13 H14 N2 O4)

Compound Name

(2Z)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

IUPAC name

(2Z)-2-cyano-3-(245-trimethoxyphenyl)prop-2-enamide

SMILES

COc(cc1OC)c(/C=C(\C(N)=O)/C#N)cc1OC

InChI

InChI=1S/C13H14N2O4/c1-17-10-6-12(19-3)11(18-2)5-8(10)4-9(7-14)13(15)16/h4-6H,1-3H3,(H2,15,16)

InChI Key

HPKSRRZUHXFSSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01329683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.603

Distribution Coefficient, logD

0.603

Water Solubility, LogSw

-1.09

Polar Surface Area

74.245

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

1831-7381 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1831-7381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1831-7381?
Check Price and Availability of 1831-7381, 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 1831-7381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1831-7381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1831-7381
  • 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 1831-7381 available by request