8018-7488 Screening compound: 2-amino-1-[(1-ethyl-2-pyrrolidinyl)methyl]-4,5-dimethyl-1H-pyrrol-3-yl cyanide

8018-7488 Screening compound: 2-amino-1-[(1-ethyl-2-pyrrolidinyl)methyl]-4,5-dimethyl-1H-pyrrol-3-yl cyanide
8018-7488 Screening compound: 2-amino-1-[(1-ethyl-2-pyrrolidinyl)methyl]-4,5-dimethyl-1H-pyrrol-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7488
2-amino-1-[(1-ethyl-2-pyrrolidinyl)methyl]-4,5-dimethyl-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

8018-7488

Molecular Formula

C14H22N4 (C14 H22 N4)

Compound Name

2-amino-1-[(1-ethyl-2-pyrrolidinyl)methyl]-4,5-dimethyl-1H-pyrrol-3-yl cyanide

IUPAC name

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

SMILES

CCN1C(Cn(c(C)c2C)c(N)c2C#N)CCC1

InChI

InChI=1S/C14H22N4/c1-4-17-7-5-6-12(17)9-18-11(3)10(2)13(8-15)14(18)16/h12H,4-7,9,16H2,1-3H3/t12-/m1/s1

InChI Key

CWJUITMVGMPALY-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD08142920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.36

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

1.370

Distribution Coefficient, logD

0.150

Water Solubility, LogSw

-0.97

Polar Surface Area

42.150

Acid Dissociation Constant (pKa)

17.67

Base Dissociation Constant (pKb)

8.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.29

8018-7488 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8018-7488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7488?
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What is the minimum amount of 8018-7488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7488
  • 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 8018-7488 available by request