8009-9831 Screening compound: dimethyl 2-(1,1-dimethyl-lambda~4~-sulfanylidene)malonate

8009-9831 Screening compound: dimethyl 2-(1,1-dimethyl-lambda~4~-sulfanylidene)malonate
8009-9831 Screening compound: dimethyl 2-(1,1-dimethyl-lambda~4~-sulfanylidene)malonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9831
dimethyl 2-(1,1-dimethyl-lambda~4~-sulfanylidene)malonate

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

8009-9831

Molecular Formula

C7H12O4S (C7 H12 O4 S)

Compound Name

dimethyl 2-(1,1-dimethyl-lambda~4~-sulfanylidene)malonate

IUPAC name

13-dimethyl 2-(dimethyl-lambda4-sulfanylidene)propanedioate

SMILES

COC(C(C(OC)=O)=S(C)C)=O

InChI

InChI=1S/C7H12O4S/c1-10-6(8)5(12(3)4)7(9)11-2/h1-4H3

InChI Key

LSWXEHICZZAYOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00506767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

192.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.817

Distribution Coefficient, logD

0.817

Water Solubility, LogSw

-0.85

Polar Surface Area

42.858

Acid Dissociation Constant (pKa)

32.96

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

8009-9831 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 8009-9831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9831?
Check Price and Availability of 8009-9831, 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 8009-9831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9831
  • 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 8009-9831 available by request