6177-0126 Screening compound: 6-chloro-4-[4-(thietan-3-yloxy)phenyl]-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

6177-0126 Screening compound: 6-chloro-4-[4-(thietan-3-yloxy)phenyl]-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline
6177-0126 Screening compound: 6-chloro-4-[4-(thietan-3-yloxy)phenyl]-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6177-0126
6-chloro-4-[4-(thietan-3-yloxy)phenyl]-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

6177-0126

Molecular Formula

C21H20ClNOS (C21 H20 ClNOS)

Compound Name

6-chloro-4-[4-(thietan-3-yloxy)phenyl]-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

IUPAC name

(3aS4R9bR)-6-chloro-4-[4-(thietan-3-yloxy)phenyl]-3H3aH4H5H9bH-cyclopenta[c]quinoline

SMILES

Clc(cccc1[C@H]2C=CC[C@@H]22)c1N[C@@H]2c(cc1)ccc1OC1CSC1

InChI

InChI=1S/C21H20ClNOS/c22-19-6-2-5-18-16-3-1-4-17(16)20(23-21(18)19)13-7-9-14(10-8-13)24-15-11-25-12-15/h1-3,5-10,15-17,20,23H,4,11-12H2/t16-,17+,20-/m1/s1

InChI Key

PMSJPCTYTIHYLR-FUHIMQAGSA-N

MDL Number (MFCD)

MFCD07546060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.91

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.475

Distribution Coefficient, logD

5.475

Water Solubility, LogSw

-6.23

Polar Surface Area

16.854

Acid Dissociation Constant (pKa)

16.56

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 6177-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6177-0126?
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What is the minimum amount of 6177-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6177-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6177-0126
  • 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 6177-0126 available by request