2187-1204 Screening compound: ethyl (E)-3-(dibenzylamino)-2-butenoate

2187-1204 Screening compound: ethyl (E)-3-(dibenzylamino)-2-butenoate
2187-1204 Screening compound: ethyl (E)-3-(dibenzylamino)-2-butenoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2187-1204
ethyl (E)-3-(dibenzylamino)-2-butenoate

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

2187-1204

Molecular Formula

C20H23NO2 (C20 H23 NO2)

Compound Name

ethyl (E)-3-(dibenzylamino)-2-butenoate

IUPAC name

ethyl (2E)-3-(dibenzylamino)but-2-enoate

SMILES

CCOC(/C=C(\C)/N(Cc1ccccc1)Cc1ccccc1)=O

InChI

InChI=1S/C20H23NO2/c1-3-23-20(22)14-17(2)21(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h4-14H,3,15-16H2,1-2H3

InChI Key

QWVGNMVYHMXXQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00651868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.251

Distribution Coefficient, logD

4.251

Water Solubility, LogSw

-4.14

Polar Surface Area

22.669

Acid Dissociation Constant (pKa)

29.95

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

2187-1204 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2187-1204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2187-1204?
Check Price and Availability of 2187-1204, 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 2187-1204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2187-1204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2187-1204
  • 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 2187-1204 available by request