8005-3037 Screening compound: (9E)-3-methyl-9-(phenylmethylidene)-9H-indeno[2,1-c]pyridine

8005-3037 Screening compound: (9E)-3-methyl-9-(phenylmethylidene)-9H-indeno[2,1-c]pyridine
8005-3037 Screening compound: (9E)-3-methyl-9-(phenylmethylidene)-9H-indeno[2,1-c]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-3037
(9E)-3-methyl-9-(phenylmethylidene)-9H-indeno[2,1-c]pyridine

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

8005-3037

Molecular Formula

C20H15N (C20 H15 N)

Compound Name

(9E)-3-methyl-9-(phenylmethylidene)-9H-indeno[2,1-c]pyridine

IUPAC name

(9E)-3-methyl-9-(phenylmethylidene)-9H-indeno[21-c]pyridine

SMILES

Cc1ncc(/C(/c2c-3cccc2)=C/c2ccccc2)c3c1

InChI

InChI=1S/C20H15N/c1-14-11-18-16-9-5-6-10-17(16)19(20(18)13-21-14)12-15-7-3-2-4-8-15/h2-13H,1H3

InChI Key

ABDZGGVFJYHTBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741324

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

269.35

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.751

Distribution Coefficient, logD

4.751

Water Solubility, LogSw

-4.59

Polar Surface Area

8.926

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

8005-3037 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with 8005-3037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-3037?
Check Price and Availability of 8005-3037, 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 8005-3037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-3037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-3037
  • 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 8005-3037 available by request