8009-7307 Screening compound: 1,3-dimethyl-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-7-carboxylic acid

8009-7307 Screening compound: 1,3-dimethyl-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-7-carboxylic acid
8009-7307 Screening compound: 1,3-dimethyl-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-7-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7307
1,3-dimethyl-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-7-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

8009-7307

Molecular Formula

C21H23NO2 (C21 H23 NO2)

Compound Name

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

IUPAC name

911-dimethyl-1-azapentacyclo[10.6.1.0^{37}.0^{819}.0^{1317}]nonadeca-58(19)91114-pentaene-2-carboxylic acid

SMILES

Cc1c(C2C=CCC2CN2C(C3C4C=CC3)C(O)=O)c2c4c(C)c1

InChI

InChI=1S/C21H23NO2/c1-11-9-12(2)18-15-7-4-8-16(15)19(21(23)24)22-10-13-5-3-6-14(13)17(11)20(18)22/h3-4,6-7,9,13-16,19H,5,8,10H2,1-2H3,(H,23,24)

InChI Key

JAJKMVIDKDCQDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01539380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.211

Distribution Coefficient, logD

1.154

Water Solubility, LogSw

-4.17

Polar Surface Area

32.910

Acid Dissociation Constant (pKa)

4.34

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

47.62

8009-7307 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-7307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7307?
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What is the minimum amount of 8009-7307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7307
  • 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 8009-7307 available by request