8020-1978 Screening compound: 2-{[2-(5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}-4,6-dimethyl-3-pyridyl cyanide

8020-1978 Screening compound: 2-{[2-(5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}-4,6-dimethyl-3-pyridyl cyanide
8020-1978 Screening compound: 2-{[2-(5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}-4,6-dimethyl-3-pyridyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1978
2-{[2-(5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}-4,6-dimethyl-3-pyridyl cyanide

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

8020-1978

Molecular Formula

C24H19N3OS (C24 H19 N3 OS)

Compound Name

2-{[2-(5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]sulfanyl}-4,6-dimethyl-3-pyridyl cyanide

IUPAC name

2-[(2-{2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaen-2-yl}-2-oxoethyl)sulfanyl]-46-dimethylpyridine-3-carbonitrile

SMILES

Cc(cc(C)nc1SCC(N2c(cccc3)c3C=Cc3c2cccc3)=O)c1C#N

InChI

InChI=1S/C24H19N3OS/c1-16-13-17(2)26-24(20(16)14-25)29-15-23(28)27-21-9-5-3-7-18(21)11-12-19-8-4-6-10-22(19)27/h3-13H,15H2,1-2H3

InChI Key

ROGKVDNUHUFXSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.647

Distribution Coefficient, logD

4.647

Water Solubility, LogSw

-4.59

Polar Surface Area

39.283

Acid Dissociation Constant (pKa)

18.38

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8020-1978 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8020-1978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1978?
Check Price and Availability of 8020-1978, 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 8020-1978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1978
  • 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 8020-1978 available by request