3132-1013 Screening compound: 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile

3132-1013 Screening compound: 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile
3132-1013 Screening compound: 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3132-1013
6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-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

3132-1013

Molecular Formula

C14H13N3S2 (C14 H13 N3 S2)

Compound Name

6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile

IUPAC name

6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-125678-hexahydro-16-naphthyridine-3-carbonitrile

SMILES

CN(CC1)CC(C(c2cccs2)=C2C#N)=C1NC2=S

InChI

InChI=1S/C14H13N3S2/c1-17-5-4-11-10(8-17)13(12-3-2-6-19-12)9(7-15)14(18)16-11/h2-3,6H,4-5,8H2,1H3,(H,16,18)

InChI Key

CMRUGDIVOLSBBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00472864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.252

Distribution Coefficient, logD

0.466

Water Solubility, LogSw

-2.32

Polar Surface Area

33.218

Acid Dissociation Constant (pKa)

5.62

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3132-1013 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Human Kinases Annotated Library (2415 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3132-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3132-1013?
Check Price and Availability of 3132-1013, 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 3132-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3132-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3132-1013
  • 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 3132-1013 available by request