8019-7864 Screening compound: [(2-chloro-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)sulfanyl]methanimidamide

8019-7864 Screening compound: [(2-chloro-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)sulfanyl]methanimidamide
8019-7864 Screening compound: [(2-chloro-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)sulfanyl]methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7864
[(2-chloro-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)sulfanyl]methanimidamide

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

8019-7864

Molecular Formula

C10H7ClN2O2S (C10 H7 ClN2 O2 S)

Compound Name

[(2-chloro-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)sulfanyl]methanimidamide

IUPAC name

[(2-chloro-13-dioxo-23-dihydro-1H-inden-2-yl)sulfanyl]methanimidamide

SMILES

NC(SC(C(c1c2cccc1)=O)(C2=O)Cl)=N

InChI

InChI=1S/C10H7ClN2O2S/c11-10(16-9(12)13)7(14)5-3-1-2-4-6(5)8(10)15/h1-4H,(H3,12,13)

InChI Key

NITBCFXFULKWCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09261452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.620

Distribution Coefficient, logD

-1.000

Water Solubility, LogSw

-2.80

Polar Surface Area

66.589

Acid Dissociation Constant (pKa)

16.54

Base Dissociation Constant (pKb)

10.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8019-7864 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-7864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7864?
Check Price and Availability of 8019-7864, 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 8019-7864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7864
  • 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 8019-7864 available by request