1831-0119 Screening compound: (2E)-3-(furan-2-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)prop-2-en-1-one

1831-0119 Screening compound: (2E)-3-(furan-2-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)prop-2-en-1-one
1831-0119 Screening compound: (2E)-3-(furan-2-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1831-0119
(2E)-3-(furan-2-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)prop-2-en-1-one

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

1831-0119

Molecular Formula

C16H15NO2 (C16 H15 NO2)

Compound Name

(2E)-3-(furan-2-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)prop-2-en-1-one

IUPAC name

(2E)-3-(furan-2-yl)-1-(1234-tetrahydroquinolin-1-yl)prop-2-en-1-one

SMILES

O=C(/C=C/c1ccco1)N(CCC1)c2c1cccc2

InChI

InChI=1S/C16H15NO2/c18-16(10-9-14-7-4-12-19-14)17-11-3-6-13-5-1-2-8-15(13)17/h1-2,4-5,7-10,12H,3,6,11H2

InChI Key

SLUOTPRNYLSBHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00425804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.118

Distribution Coefficient, logD

3.118

Water Solubility, LogSw

-3.29

Polar Surface Area

22.773

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

1831-0119 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1831-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1831-0119?
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What is the minimum amount of 1831-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1831-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1831-0119
  • 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 1831-0119 available by request