8019-4497 Screening compound: 2-amino-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrole-3-carbonitrile

8019-4497 Screening compound: 2-amino-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrole-3-carbonitrile
8019-4497 Screening compound: 2-amino-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrole-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4497
2-amino-4-methyl-5-[2-(methylsulfanyl)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

8019-4497

Molecular Formula

C9H13N3S (C9 H13 N3 S)

Compound Name

2-amino-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrole-3-carbonitrile

IUPAC name

2-amino-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrole-3-carbonitrile

SMILES

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

InChI

InChI=1S/C9H13N3S/c1-6-7(5-10)9(11)12-8(6)3-4-13-2/h12H,3-4,11H2,1-2H3

InChI Key

QNWSCQLEWSLNIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08445413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

195.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.248

Distribution Coefficient, logD

1.248

Water Solubility, LogSw

-1.41

Polar Surface Area

48.891

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

8019-4497 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8019-4497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4497?
Check Price and Availability of 8019-4497, 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 8019-4497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4497
  • 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 8019-4497 available by request