8016-7155 Screening compound: 2-[7,7-dimethyl-2,5-dioxo-4-(thiophen-3-yl)-1,2,3,4,5,6,7,8-octahydroquinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

8016-7155 Screening compound: 2-[7,7-dimethyl-2,5-dioxo-4-(thiophen-3-yl)-1,2,3,4,5,6,7,8-octahydroquinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
8016-7155 Screening compound: 2-[7,7-dimethyl-2,5-dioxo-4-(thiophen-3-yl)-1,2,3,4,5,6,7,8-octahydroquinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7155
2-[7,7-dimethyl-2,5-dioxo-4-(thiophen-3-yl)-1,2,3,4,5,6,7,8-octahydroquinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-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

8016-7155

Molecular Formula

C24H24N2O2S2 (C24 H24 N2 O2 S2)

Compound Name

2-[7,7-dimethyl-2,5-dioxo-4-(thiophen-3-yl)-1,2,3,4,5,6,7,8-octahydroquinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

IUPAC name

2-[77-dimethyl-25-dioxo-4-(thiophen-3-yl)-12345678-octahydroquinolin-1-yl]-4567-tetrahydro-1-benzothiophene-3-carbonitrile

SMILES

CC(C)(C1)CC(N(c(sc2c3CCCC2)c3C#N)C(CC2c3cscc3)=O)=C2C1=O

InChI

InChI=1S/C24H24N2O2S2/c1-24(2)10-18-22(19(27)11-24)16(14-7-8-29-13-14)9-21(28)26(18)23-17(12-25)15-5-3-4-6-20(15)30-23/h7-8,13,16H,3-6,9-11H2,1-2H3/t16-/m1/s1

InChI Key

WQHQQWGORFXHFO-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD05858586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.423

Distribution Coefficient, logD

4.423

Water Solubility, LogSw

-4.55

Polar Surface Area

47.650

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

-5.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

8016-7155 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Akt-Targeted Library (14764 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-7155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7155?
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What is the minimum amount of 8016-7155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7155
  • 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 8016-7155 available by request