8017-0322 Screening compound: 1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-methyl-2-thienyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

8017-0322 Screening compound: 1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-methyl-2-thienyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
8017-0322 Screening compound: 1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-methyl-2-thienyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0322
1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-methyl-2-thienyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

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

8017-0322

Molecular Formula

C26H19ClF3N3OS (C26 H19 ClF3 N3 OS)

Compound Name

1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-methyl-2-thienyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

IUPAC name

1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-145678-hexahydroquinoline-3-carbonitrile

SMILES

Cc1ccc(C(C2=C3CCCC2=O)C(C#N)=C(n2cccc2)N3c(cc(C(F)(F)F)cc2)c2Cl)s1

InChI

InChI=1S/C26H19ClF3N3OS/c1-15-7-10-22(35-15)23-17(14-31)25(32-11-2-3-12-32)33(19-5-4-6-21(34)24(19)23)20-13-16(26(28,29)30)8-9-18(20)27/h2-3,7-13,23H,4-6H2,1H3/t23-/m1/s1

InChI Key

ZJHSNFVUTUVFBK-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD06013549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.97

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.466

Distribution Coefficient, logD

6.466

Water Solubility, LogSw

-6.29

Polar Surface Area

37.271

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

-8.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.08

References: we are preparing a list of scientific research reports with 8017-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0322?
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What is the minimum amount of 8017-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0322
  • 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 8017-0322 available by request