8015-8143 Screening compound: 2-amino-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8015-8143 Screening compound: 2-amino-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8015-8143 Screening compound: 2-amino-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8143
2-amino-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-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

8015-8143

Molecular Formula

C24H21N5OS3 (C24 H21 N5 OS3)

Compound Name

2-amino-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)-5-oxo-4-(thiophen-3-yl)-145678-hexahydroquinoline-3-carbonitrile

SMILES

Cc1ccc(CSc2nnc(N(C(CCC3)=C(C4c5cscc5)C3=O)C(N)=C4C#N)s2)cc1

InChI

InChI=1S/C24H21N5OS3/c1-14-5-7-15(8-6-14)12-32-24-28-27-23(33-24)29-18-3-2-4-19(30)21(18)20(16-9-10-31-13-16)17(11-25)22(29)26/h5-10,13,20H,2-4,12,26H2,1H3/t20-/m0/s1

InChI Key

ZACXWYLKNAONRF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD05258586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.169

Distribution Coefficient, logD

4.169

Water Solubility, LogSw

-4.32

Polar Surface Area

75.804

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

-5.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8015-8143 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8015-8143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8143?
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What is the minimum amount of 8015-8143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8143
  • 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 8015-8143 available by request