8018-7417 Screening compound: 2-amino-1-(4-chlorobenzyl)-4,5-dimethyl-1H-pyrrol-3-yl cyanide

8018-7417 Screening compound: 2-amino-1-(4-chlorobenzyl)-4,5-dimethyl-1H-pyrrol-3-yl cyanide
8018-7417 Screening compound: 2-amino-1-(4-chlorobenzyl)-4,5-dimethyl-1H-pyrrol-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7417
2-amino-1-(4-chlorobenzyl)-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

8018-7417

Molecular Formula

C14H14ClN3 (C14 H14 ClN3)

Compound Name

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

IUPAC name

2-amino-1-[(4-chlorophenyl)methyl]-45-dimethyl-1H-pyrrole-3-carbonitrile

SMILES

Cc1c(C)n(Cc(cc2)ccc2Cl)c(N)c1C#N

InChI

InChI=1S/C14H14ClN3/c1-9-10(2)18(14(17)13(9)7-16)8-11-3-5-12(15)6-4-11/h3-6H,8,17H2,1-2H3

InChI Key

OUMXANFMFANTQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.74

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.098

Distribution Coefficient, logD

3.098

Water Solubility, LogSw

-3.64

Polar Surface Area

38.243

Acid Dissociation Constant (pKa)

17.91

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

8018-7417 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-7417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7417?
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What is the minimum amount of 8018-7417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7417
  • 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 8018-7417 available by request