8014-1376 Screening compound: 2-[7,8-dimethylimidazo[4,5-e]indol-3(6H)-yl]ethyl cyanide

8014-1376 Screening compound: 2-[7,8-dimethylimidazo[4,5-e]indol-3(6H)-yl]ethyl cyanide
8014-1376 Screening compound: 2-[7,8-dimethylimidazo[4,5-e]indol-3(6H)-yl]ethyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1376
2-[7,8-dimethylimidazo[4,5-e]indol-3(6H)-yl]ethyl 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

8014-1376

Molecular Formula

C14H14N4 (C14 H14 N4)

Compound Name

2-[7,8-dimethylimidazo[4,5-e]indol-3(6H)-yl]ethyl cyanide

IUPAC name

3-{78-dimethyl-3H6H-imidazo[45-e]indol-3-yl}propanenitrile

SMILES

Cc1c(C)[nH]c(cc2)c1c1c2n(CCC#N)cn1

InChI

InChI=1S/C14H14N4/c1-9-10(2)17-11-4-5-12-14(13(9)11)16-8-18(12)7-3-6-15/h4-5,8,17H,3,7H2,1-2H3

InChI Key

SSRRDLNQKDKGGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01084600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.979

Distribution Coefficient, logD

1.962

Water Solubility, LogSw

-1.92

Polar Surface Area

38.861

Acid Dissociation Constant (pKa)

19.01

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8014-1376 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8014-1376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1376?
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What is the minimum amount of 8014-1376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1376
  • 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 8014-1376 available by request