8018-7939 Screening compound: 2-amino-4,5-dimethyl-1-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-carbonitrile

8018-7939 Screening compound: 2-amino-4,5-dimethyl-1-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-carbonitrile
8018-7939 Screening compound: 2-amino-4,5-dimethyl-1-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7939
2-amino-4,5-dimethyl-1-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-carbonitrile

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

8018-7939

Molecular Formula

C13H20N4 (C13 H20 N4)

Compound Name

2-amino-4,5-dimethyl-1-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-carbonitrile

IUPAC name

2-amino-45-dimethyl-1-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-carbonitrile

SMILES

Cc1c(C)n(CCN2CCCC2)c(N)c1C#N

InChI

InChI=1S/C13H20N4/c1-10-11(2)17(13(15)12(10)9-14)8-7-16-5-3-4-6-16/h3-8,15H2,1-2H3

InChI Key

LISWAABGQBQARH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08532341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.283

Distribution Coefficient, logD

-0.911

Water Solubility, LogSw

-0.86

Polar Surface Area

42.570

Acid Dissociation Constant (pKa)

17.67

Base Dissociation Constant (pKb)

9.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.54

8018-7939 in Drug Discovery

Included in Screening Libraries

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8018-7939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7939?
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What is the minimum amount of 8018-7939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7939
  • 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 8018-7939 available by request