8019-8830 Screening compound: [(4-amino-3-chlorophenyl)sulfanyl]formonitrile

8019-8830 Screening compound: [(4-amino-3-chlorophenyl)sulfanyl]formonitrile
8019-8830 Screening compound: [(4-amino-3-chlorophenyl)sulfanyl]formonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8830
[(4-amino-3-chlorophenyl)sulfanyl]formonitrile

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

8019-8830

Molecular Formula

C7H5ClN2S (C7 H5 ClN2 S)

Compound Name

[(4-amino-3-chlorophenyl)sulfanyl]formonitrile

IUPAC name

[(4-amino-3-chlorophenyl)sulfanyl]formonitrile

SMILES

Nc(ccc(SC#N)c1)c1Cl

InChI

InChI=1S/C7H5ClN2S/c8-6-3-5(11-4-9)1-2-7(6)10/h1-3H,10H2

InChI Key

TZBOJMWJGHBCEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04614735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

184.65

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.134

Distribution Coefficient, logD

2.134

Water Solubility, LogSw

-2.68

Polar Surface Area

38.131

Acid Dissociation Constant (pKa)

19.68

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8019-8830 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-8830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8830?
Check Price and Availability of 8019-8830, 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 8019-8830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8830
  • 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 8019-8830 available by request