0099-0290 Screening compound: ethyl (2E)-3-[(4-acetamidophenyl)amino]but-2-enoate

0099-0290 Screening compound: ethyl (2E)-3-[(4-acetamidophenyl)amino]but-2-enoate
0099-0290 Screening compound: ethyl (2E)-3-[(4-acetamidophenyl)amino]but-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0099-0290
ethyl (2E)-3-[(4-acetamidophenyl)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

0099-0290

Molecular Formula

C14H18N2O3 (C14 H18 N2 O3)

Compound Name

ethyl (2E)-3-[(4-acetamidophenyl)amino]but-2-enoate

IUPAC name

ethyl (2E)-3-[(4-acetamidophenyl)amino]but-2-enoate

SMILES

CCOC(/C=C(\C)/Nc(cc1)ccc1NC(C)=O)=O

InChI

InChI=1S/C14H18N2O3/c1-4-19-14(18)9-10(2)15-12-5-7-13(8-6-12)16-11(3)17/h5-9,15H,4H2,1-3H3,(H,16,17)

InChI Key

JBJTUFMRQIGTQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.054

Distribution Coefficient, logD

2.023

Water Solubility, LogSw

-2.71

Polar Surface Area

51.487

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

0099-0290 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0099-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0099-0290?
Check Price and Availability of 0099-0290, 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 0099-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0099-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0099-0290
  • 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 0099-0290 available by request