8017-2398 Screening compound: (4S)-6,7-dichloro-4-[2-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

8017-2398 Screening compound: (4S)-6,7-dichloro-4-[2-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
8017-2398 Screening compound: (4S)-6,7-dichloro-4-[2-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2398
(4S)-6,7-dichloro-4-[2-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

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

8017-2398

Molecular Formula

C19H14Cl2F3N (C19 H14 Cl2 F3 N)

Compound Name

(4S)-6,7-dichloro-4-[2-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

IUPAC name

(4S)-67-dichloro-4-[2-(trifluoromethyl)phenyl]-3H3aH4H5H9bH-cyclopenta[c]quinoline

SMILES

FC(c1c(C(C(CC=C2)C2c2ccc3Cl)Nc2c3Cl)cccc1)(F)F

InChI

InChI=1S/C19H14Cl2F3N/c20-15-9-8-12-10-5-3-6-11(10)17(25-18(12)16(15)21)13-4-1-2-7-14(13)19(22,23)24/h1-5,7-11,17,25H,6H2/t10?,11?,17-/m0/s1

InChI Key

QYSMKNMMLMUFOC-IGCAFJPESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.23

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

6.527

Distribution Coefficient, logD

6.527

Water Solubility, LogSw

-7.11

Polar Surface Area

10.069

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with 8017-2398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2398?
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What is the minimum amount of 8017-2398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2398
  • 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 8017-2398 available by request