8019-4636 Screening compound: 2-amino-5-benzyl-4-methyl-1H-pyrrol-3-yl cyanide

8019-4636 Screening compound: 2-amino-5-benzyl-4-methyl-1H-pyrrol-3-yl cyanide
8019-4636 Screening compound: 2-amino-5-benzyl-4-methyl-1H-pyrrol-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4636
2-amino-5-benzyl-4-methyl-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

8019-4636

Molecular Formula

C13H13N3 (C13 H13 N3)

Compound Name

2-amino-5-benzyl-4-methyl-1H-pyrrol-3-yl cyanide

IUPAC name

2-amino-5-benzyl-4-methyl-1H-pyrrole-3-carbonitrile

SMILES

Cc1c(Cc2ccccc2)[nH]c(N)c1C#N

InChI

InChI=1S/C13H13N3/c1-9-11(8-14)13(15)16-12(9)7-10-5-3-2-4-6-10/h2-6,16H,7,15H2,1H3

InChI Key

BWAUXRJLNREQCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08848186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

211.27

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.098

Distribution Coefficient, logD

2.098

Water Solubility, LogSw

-1.98

Polar Surface Area

48.620

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

8019-4636 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8019-4636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4636?
Check Price and Availability of 8019-4636, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8019-4636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4636
  • 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 8019-4636 available by request