8019-3413 Screening compound: ethyl (2E)-3-amino-2-[(E)-benzoyl]-3-[(propan-2-yl)amino]prop-2-enoate

8019-3413 Screening compound: ethyl (2E)-3-amino-2-[(E)-benzoyl]-3-[(propan-2-yl)amino]prop-2-enoate
8019-3413 Screening compound: ethyl (2E)-3-amino-2-[(E)-benzoyl]-3-[(propan-2-yl)amino]prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3413
ethyl (2E)-3-amino-2-[(E)-benzoyl]-3-[(propan-2-yl)amino]prop-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

8019-3413

Molecular Formula

C15H20N2O3 (C15 H20 N2 O3)

Compound Name

ethyl (2E)-3-amino-2-[(E)-benzoyl]-3-[(propan-2-yl)amino]prop-2-enoate

IUPAC name

ethyl (2E)-3-amino-2-[(E)-benzoyl]-3-[(propan-2-yl)amino]prop-2-enoate

SMILES

CCOC(/C(/C(c1ccccc1)=O)=C(\N)/NC(C)C)=O

InChI

InChI=1S/C15H20N2O3/c1-4-20-15(19)12(14(16)17-10(2)3)13(18)11-8-6-5-7-9-11/h5-10,17H,4,16H2,1-3H3

InChI Key

HBVFLINNLNEFKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.219

Distribution Coefficient, logD

2.219

Water Solubility, LogSw

-2.55

Polar Surface Area

66.956

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8019-3413 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-3413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3413?
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What is the minimum amount of 8019-3413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3413
  • 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 8019-3413 available by request