8016-5161 Screening compound: 2-amino-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(quinoxalin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8016-5161 Screening compound: 2-amino-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(quinoxalin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8016-5161 Screening compound: 2-amino-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(quinoxalin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5161
2-amino-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(quinoxalin-2-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

8016-5161

Molecular Formula

C23H21N7OS2 (C23 H21 N7 OS2)

Compound Name

2-amino-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(quinoxalin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-5-oxo-1-[5-(propan-2-ylsulfanyl)-134-thiadiazol-2-yl]-4-(quinoxalin-2-yl)-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)Sc1nnc(N(C(CCC2)=C(C3c4nc5ccccc5nc4)C2=O)C(N)=C3C#N)s1

InChI

InChI=1S/C23H21N7OS2/c1-12(2)32-23-29-28-22(33-23)30-17-8-5-9-18(31)20(17)19(13(10-24)21(30)25)16-11-26-14-6-3-4-7-15(14)27-16/h3-4,6-7,11-12,19H,5,8-9,25H2,1-2H3/t19-/m1/s1

InChI Key

ICWLRUCRRCIBGI-LJQANCHMSA-N

MDL Number (MFCD)

MFCD05856994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.562

Distribution Coefficient, logD

3.562

Water Solubility, LogSw

-3.90

Polar Surface Area

92.512

Acid Dissociation Constant (pKa)

16.35

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

8016-5161 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 8016-5161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5161?
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What is the minimum amount of 8016-5161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5161
  • 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 8016-5161 available by request