8006-4127 Screening compound: N~1~-(3b,4,5,6,6a,7,9,9a,10,11,12,12a-dodecahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinolin-2-yl)-2-methylbenzamide

8006-4127 Screening compound: N~1~-(3b,4,5,6,6a,7,9,9a,10,11,12,12a-dodecahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinolin-2-yl)-2-methylbenzamide
8006-4127 Screening compound: N~1~-(3b,4,5,6,6a,7,9,9a,10,11,12,12a-dodecahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinolin-2-yl)-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4127
N~1~-(3b,4,5,6,6a,7,9,9a,10,11,12,12a-dodecahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinolin-2-yl)-2-methylbenzamide

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

8006-4127

Molecular Formula

C26H30N2O (C26 H30 N2 O)

Compound Name

N~1~-(3b,4,5,6,6a,7,9,9a,10,11,12,12a-dodecahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinolin-2-yl)-2-methylbenzamide

IUPAC name

N-{1-azapentacyclo[10.6.1.0^{37}.0^{819}.0^{1317}]nonadeca-81012(19)-trien-10-yl}-2-methylbenzamide

SMILES

Cc(cccc1)c1C(Nc(cc1C(CCC2)C2C2)cc3c1N2CC1C3CCC1)=O

InChI

InChI=1S/C26H30N2O/c1-16-6-2-3-9-20(16)26(29)27-19-12-23-21-10-4-7-17(21)14-28-15-18-8-5-11-22(18)24(13-19)25(23)28/h2-3,6,9,12-13,17-18,21-22H,4-5,7-8,10-11,14-15H2,1H3,(H,27,29)

InChI Key

NIQKOFGPYDMLSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00502743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.54

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.006

Distribution Coefficient, logD

4.312

Water Solubility, LogSw

-4.59

Polar Surface Area

27.652

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8006-4127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4127?
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What is the minimum amount of 8006-4127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4127
  • 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 8006-4127 available by request