8017-0908 Screening compound: 2-[2,5-dioxo-4-(2-thienyl)-3,4,5,6,7,8-hexahydro-1(2H)-quinolinyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl cyanide

8017-0908 Screening compound: 2-[2,5-dioxo-4-(2-thienyl)-3,4,5,6,7,8-hexahydro-1(2H)-quinolinyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl cyanide
8017-0908 Screening compound: 2-[2,5-dioxo-4-(2-thienyl)-3,4,5,6,7,8-hexahydro-1(2H)-quinolinyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0908
2-[2,5-dioxo-4-(2-thienyl)-3,4,5,6,7,8-hexahydro-1(2H)-quinolinyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl cyanide

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

8017-0908

Molecular Formula

C23H22N2O2S2 (C23 H22 N2 O2 S2)

Compound Name

2-[2,5-dioxo-4-(2-thienyl)-3,4,5,6,7,8-hexahydro-1(2H)-quinolinyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl cyanide

IUPAC name

2-[25-dioxo-4-(thiophen-2-yl)-12345678-octahydroquinolin-1-yl]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carbonitrile

SMILES

N#Cc1c(N(C(CCC2)=C(C(C3)c4cccs4)C2=O)C3=O)sc2c1CCCCC2

InChI

InChI=1S/C23H22N2O2S2/c24-13-16-14-6-2-1-3-9-20(14)29-23(16)25-17-7-4-8-18(26)22(17)15(12-21(25)27)19-10-5-11-28-19/h5,10-11,15H,1-4,6-9,12H2/t15-/m1/s1

InChI Key

IMDSMJURPQMSIS-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD06013976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.57

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

4.242

Distribution Coefficient, logD

4.242

Water Solubility, LogSw

-4.48

Polar Surface Area

47.981

Acid Dissociation Constant (pKa)

18.85

Base Dissociation Constant (pKb)

-5.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

8017-0908 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-0908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0908?
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What is the minimum amount of 8017-0908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0908
  • 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 8017-0908 available by request