6177-0140 Screening compound: methyl 4-{6,8-dimethyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate

6177-0140 Screening compound: methyl 4-{6,8-dimethyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate
6177-0140 Screening compound: methyl 4-{6,8-dimethyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6177-0140
methyl 4-{6,8-dimethyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate

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

6177-0140

Molecular Formula

C22H23NO2 (C22 H23 NO2)

Compound Name

methyl 4-{6,8-dimethyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate

IUPAC name

methyl 4-[(3aS4R9bR)-68-dimethyl-3H3aH4H5H9bH-cyclopenta[c]quinolin-4-yl]benzoate

SMILES

Cc(cc1C)cc([C@H]2C=CC[C@@H]22)c1N[C@@H]2c(cc1)ccc1C(OC)=O

InChI

InChI=1S/C22H23NO2/c1-13-11-14(2)20-19(12-13)17-5-4-6-18(17)21(23-20)15-7-9-16(10-8-15)22(24)25-3/h4-5,7-12,17-18,21,23H,6H2,1-3H3/t17-,18-,21-/m1/s1

InChI Key

XXPNVELGKOEDDE-DBXWQHBBSA-N

MDL Number (MFCD)

MFCD02325178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.168

Distribution Coefficient, logD

5.168

Water Solubility, LogSw

-5.04

Polar Surface Area

31.243

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

31.80

6177-0140 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 6177-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6177-0140?
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What is the minimum amount of 6177-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6177-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6177-0140
  • 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 6177-0140 available by request