8015-3714 Screening compound: 1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

8015-3714 Screening compound: 1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
8015-3714 Screening compound: 1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3714
1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(thiophen-2-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

8015-3714

Molecular Formula

C22H18ClN3O2S3 (C22 H18 ClN3 O2 S3)

Compound Name

1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

IUPAC name

1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)-4-(thiophen-2-yl)-12345678-octahydroquinoline-25-dione

SMILES

O=C(CCC1)C(C(C2)c3cccs3)=C1N(c1nnc(SCc(cccc3)c3Cl)s1)C2=O

InChI

InChI=1S/C22H18ClN3O2S3/c23-15-6-2-1-5-13(15)12-30-22-25-24-21(31-22)26-16-7-3-8-17(27)20(16)14(11-19(26)28)18-9-4-10-29-18/h1-2,4-6,9-10,14H,3,7-8,11-12H2/t14-/m1/s1

InChI Key

OHTYWRPRVONGKR-CQSZACIVSA-N

MDL Number (MFCD)

MFCD04061028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.05

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

4.631

Distribution Coefficient, logD

4.631

Water Solubility, LogSw

-4.76

Polar Surface Area

52.013

Acid Dissociation Constant (pKa)

18.32

Base Dissociation Constant (pKb)

-4.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8015-3714 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8015-3714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3714?
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What is the minimum amount of 8015-3714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3714
  • 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 8015-3714 available by request