2374-0017 Screening compound: 7-(4-chlorophenyl)-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylic acid

2374-0017 Screening compound: 7-(4-chlorophenyl)-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylic acid
2374-0017 Screening compound: 7-(4-chlorophenyl)-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2374-0017
7-(4-chlorophenyl)-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylic acid

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

2374-0017

Molecular Formula

C25H22ClNO2 (C25 H22 ClNO2)

Compound Name

7-(4-chlorophenyl)-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylic acid

IUPAC name

18-(4-chlorophenyl)-1-azapentacyclo[10.6.1.0^{37}.0^{819}.0^{1317}]nonadeca-581012(19)14-pentaene-10-carboxylic acid

SMILES

OC(c(cc1C2C=CCC2C2)cc(C3C=CCC33)c1N2C3c(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H22ClNO2/c26-17-9-7-14(8-10-17)23-20-6-2-5-19(20)22-12-16(25(28)29)11-21-18-4-1-3-15(18)13-27(23)24(21)22/h1-2,4-5,7-12,15,18-20,23H,3,6,13H2,(H,28,29)

InChI Key

CJDVXNWSHASYPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01164100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.91

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.755

Distribution Coefficient, logD

5.862

Water Solubility, LogSw

-6.24

Polar Surface Area

32.638

Acid Dissociation Constant (pKa)

6.57

Base Dissociation Constant (pKb)

-4.90

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with 2374-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2374-0017?
Check Price and Availability of 2374-0017, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2374-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2374-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2374-0017
  • 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 2374-0017 available by request