3130-0150 Screening compound: (2E)-3-(4-chlorophenyl)-2-[(E)-1,2,3,4-tetrahydroquinoline-1-carbonyl]prop-2-enenitrile

3130-0150 Screening compound: (2E)-3-(4-chlorophenyl)-2-[(E)-1,2,3,4-tetrahydroquinoline-1-carbonyl]prop-2-enenitrile
3130-0150 Screening compound: (2E)-3-(4-chlorophenyl)-2-[(E)-1,2,3,4-tetrahydroquinoline-1-carbonyl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3130-0150
(2E)-3-(4-chlorophenyl)-2-[(E)-1,2,3,4-tetrahydroquinoline-1-carbonyl]prop-2-enenitrile

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

3130-0150

Molecular Formula

C19H15ClN2O (C19 H15 ClN2 O)

Compound Name

(2E)-3-(4-chlorophenyl)-2-[(E)-1,2,3,4-tetrahydroquinoline-1-carbonyl]prop-2-enenitrile

IUPAC name

(2E)-3-(4-chlorophenyl)-2-[(E)-1234-tetrahydroquinoline-1-carbonyl]prop-2-enenitrile

SMILES

N#C/C(/C(N(CCC1)c2c1cccc2)=O)=C\c(cc1)ccc1Cl

InChI

InChI=1S/C19H15ClN2O/c20-17-9-7-14(8-10-17)12-16(13-21)19(23)22-11-3-5-15-4-1-2-6-18(15)22/h1-2,4,6-10,12H,3,5,11H2

InChI Key

KFHPEOVFRPGFGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02342946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.79

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.565

Distribution Coefficient, logD

4.565

Water Solubility, LogSw

-4.98

Polar Surface Area

32.607

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

3130-0150 in Drug Discovery

Included in Screening Libraries

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 3130-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3130-0150?
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What is the minimum amount of 3130-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3130-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3130-0150
  • 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 3130-0150 available by request