8018-8213 Screening compound: 2-amino-4,5-dimethyl-1-(3-pyridylmethyl)-1H-pyrrol-3-yl cyanide

8018-8213 Screening compound: 2-amino-4,5-dimethyl-1-(3-pyridylmethyl)-1H-pyrrol-3-yl cyanide
8018-8213 Screening compound: 2-amino-4,5-dimethyl-1-(3-pyridylmethyl)-1H-pyrrol-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8213
2-amino-4,5-dimethyl-1-(3-pyridylmethyl)-1H-pyrrol-3-yl 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

8018-8213

Molecular Formula

C13H14N4 (C13 H14 N4)

Compound Name

2-amino-4,5-dimethyl-1-(3-pyridylmethyl)-1H-pyrrol-3-yl cyanide

IUPAC name

2-amino-45-dimethyl-1-[(pyridin-3-yl)methyl]-1H-pyrrole-3-carbonitrile

SMILES

Cc1c(C)n(Cc2cnccc2)c(N)c1C#N

InChI

InChI=1S/C13H14N4/c1-9-10(2)17(13(15)12(9)6-14)8-11-4-3-5-16-7-11/h3-5,7H,8,15H2,1-2H3

InChI Key

KVMIFAFNOJYAQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

226.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.190

Distribution Coefficient, logD

1.093

Water Solubility, LogSw

-0.58

Polar Surface Area

47.761

Acid Dissociation Constant (pKa)

18.03

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

8018-8213 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8018-8213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8213?
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What is the minimum amount of 8018-8213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8213
  • 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 8018-8213 available by request