0655-0099 Screening compound: 5-ethyl-4,6-dimethyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile

0655-0099 Screening compound: 5-ethyl-4,6-dimethyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile
0655-0099 Screening compound: 5-ethyl-4,6-dimethyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0655-0099
5-ethyl-4,6-dimethyl-2-sulfanylidene-1,2-dihydropyridine-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

0655-0099

Molecular Formula

C10H12N2S (C10 H12 N2 S)

Compound Name

5-ethyl-4,6-dimethyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile

IUPAC name

5-ethyl-46-dimethyl-2-sulfanylidene-12-dihydropyridine-3-carbonitrile

SMILES

CCC(C(C)=C1C#N)=C(C)NC1=S

InChI

InChI=1S/C10H12N2S/c1-4-8-6(2)9(5-11)10(13)12-7(8)3/h4H2,1-3H3,(H,12,13)

InChI Key

IMLGWNWCXQYTLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00569803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

192.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.388

Distribution Coefficient, logD

0.841

Water Solubility, LogSw

-2.40

Polar Surface Area

28.742

Acid Dissociation Constant (pKa)

5.86

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

0655-0099 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 0655-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0655-0099?
Check Price and Availability of 0655-0099, 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 0655-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0655-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0655-0099
  • 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 0655-0099 available by request