8017-0014 Screening compound: 4-[(Z)-2-(9H-beta-carbolin-1-yl)-1-ethenyl]benzonitrile

8017-0014 Screening compound: 4-[(Z)-2-(9H-beta-carbolin-1-yl)-1-ethenyl]benzonitrile
8017-0014 Screening compound: 4-[(Z)-2-(9H-beta-carbolin-1-yl)-1-ethenyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0014
4-[(Z)-2-(9H-beta-carbolin-1-yl)-1-ethenyl]benzonitrile

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

8017-0014

Molecular Formula

C20H13N3 (C20 H13 N3)

Compound Name

4-[(Z)-2-(9H-beta-carbolin-1-yl)-1-ethenyl]benzonitrile

IUPAC name

4-[(1Z)-2-{9H-pyrido[34-b]indol-1-yl}ethenyl]benzonitrile

SMILES

N#Cc1ccc(/C=C\c2nccc3c2[nH]c2c3cccc2)cc1

InChI

InChI=1S/C20H13N3/c21-13-15-7-5-14(6-8-15)9-10-19-20-17(11-12-22-19)16-3-1-2-4-18(16)23-20/h1-12,23H

InChI Key

OULZBBSNLCKHRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.029

Distribution Coefficient, logD

4.556

Water Solubility, LogSw

-5.30

Polar Surface Area

37.171

Acid Dissociation Constant (pKa)

19.40

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8017-0014 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0014?
Check Price and Availability of 8017-0014, 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 8017-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0014
  • 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 8017-0014 available by request