8011-5926 Screening compound: 6-chloro-4-(4-nitrophenyl)-9-(trifluoromethyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

8011-5926 Screening compound: 6-chloro-4-(4-nitrophenyl)-9-(trifluoromethyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline
8011-5926 Screening compound: 6-chloro-4-(4-nitrophenyl)-9-(trifluoromethyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5926
6-chloro-4-(4-nitrophenyl)-9-(trifluoromethyl)-3H,3aH,4H,5H,9bH-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

8011-5926

Molecular Formula

C19H14ClF3N2O2 (C19 H14 ClF3 N2 O2)

Compound Name

6-chloro-4-(4-nitrophenyl)-9-(trifluoromethyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

IUPAC name

6-chloro-4-(4-nitrophenyl)-9-(trifluoromethyl)-3H3aH4H5H9bH-cyclopenta[c]quinoline

SMILES

[O-][N+](c1ccc(C(C(CC=C2)C2c2c(C(F)(F)F)cc3)Nc2c3Cl)cc1)=O

InChI

InChI=1S/C19H14ClF3N2O2/c20-15-9-8-14(19(21,22)23)16-12-2-1-3-13(12)17(24-18(15)16)10-4-6-11(7-5-10)25(26)27/h1-2,4-9,12-13,17,24H,3H2

InChI Key

WEMYZEARRRTUNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02815309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.957

Distribution Coefficient, logD

5.957

Water Solubility, LogSw

-6.43

Polar Surface Area

43.451

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

26.30

8011-5926 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 8011-5926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5926?
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What is the minimum amount of 8011-5926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5926
  • 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 8011-5926 available by request