6186-3180 Screening compound: 3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl morpholine-4-carbodithioate

6186-3180 Screening compound: 3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl morpholine-4-carbodithioate
6186-3180 Screening compound: 3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl morpholine-4-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6186-3180
3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl morpholine-4-carbodithioate

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

6186-3180

Molecular Formula

C16H16N4O2S2 (C16 H16 N4 O2 S2)

Compound Name

3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl morpholine-4-carbodithioate

IUPAC name

3-cyano-3-(23-dihydro-1H-13-benzodiazol-2-ylidene)-2-oxopropyl morpholine-4-carbodithioate

SMILES

N#CC(C(CSC(N1CCOCC1)=S)=O)=C1Nc(cccc2)c2N1

InChI

InChI=1S/C16H16N4O2S2/c17-9-11(15-18-12-3-1-2-4-13(12)19-15)14(21)10-24-16(23)20-5-7-22-8-6-20/h1-4,18-19H,5-8,10H2

InChI Key

JEYBXGVSGWEXDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03299148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.097

Distribution Coefficient, logD

2.096

Water Solubility, LogSw

-2.65

Polar Surface Area

63.588

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

6186-3180 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6186-3180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-3180?
Check Price and Availability of 6186-3180, 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 6186-3180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-3180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-3180
  • 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 6186-3180 available by request