8016-0093 Screening compound: 2-propynyl (Z)-2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-2-propenoate

8016-0093 Screening compound: 2-propynyl (Z)-2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-2-propenoate
8016-0093 Screening compound: 2-propynyl (Z)-2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-2-propenoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0093
2-propynyl (Z)-2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-2-propenoate

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

8016-0093

Molecular Formula

C21H20N2O3 (C21 H20 N2 O3)

Compound Name

2-propynyl (Z)-2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-2-propenoate

IUPAC name

prop-2-yn-1-yl (2Z)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enoate

SMILES

CN(C)c1ccc(/C=C(/C(OCC#C)=O)\NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C21H20N2O3/c1-4-14-26-21(25)19(22-20(24)17-8-6-5-7-9-17)15-16-10-12-18(13-11-16)23(2)3/h1,5-13,15H,14H2,2-3H3,(H,22,24)

InChI Key

OUPACXBYQUZHPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.374

Distribution Coefficient, logD

3.012

Water Solubility, LogSw

-3.71

Polar Surface Area

46.015

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

8016-0093 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 8016-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0093?
Check Price and Availability of 8016-0093, 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 8016-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0093
  • 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 8016-0093 available by request