8015-3586 Screening compound: 1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(thiophen-3-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

8015-3586 Screening compound: 1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(thiophen-3-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
8015-3586 Screening compound: 1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(thiophen-3-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3586
1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(thiophen-3-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

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

8015-3586

Molecular Formula

C22H19N3O2S3 (C22 H19 N3 O2 S3)

Compound Name

1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(thiophen-3-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

IUPAC name

1-[5-(benzylsulfanyl)-134-thiadiazol-2-yl]-4-(thiophen-3-yl)-12345678-octahydroquinoline-25-dione

SMILES

O=C(CCC1)C(C(C2)c3cscc3)=C1N(c1nnc(SCc3ccccc3)s1)C2=O

InChI

InChI=1S/C22H19N3O2S3/c26-18-8-4-7-17-20(18)16(15-9-10-28-13-15)11-19(27)25(17)21-23-24-22(30-21)29-12-14-5-2-1-3-6-14/h1-3,5-6,9-10,13,16H,4,7-8,11-12H2/t16-/m1/s1

InChI Key

UZLVTWYOZFTELE-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD04060937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.747

Distribution Coefficient, logD

3.747

Water Solubility, LogSw

-4.09

Polar Surface Area

52.013

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8015-3586 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8015-3586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3586?
Check Price and Availability of 8015-3586, 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 8015-3586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3586
  • 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 8015-3586 available by request