8010-3845 Screening compound: 8-(2,4-dimethoxyphenyl)-8,10,11,12-tetrahydrobenzo[a][4,7]phenanthrolin-9(7H)-one

8010-3845 Screening compound: 8-(2,4-dimethoxyphenyl)-8,10,11,12-tetrahydrobenzo[a][4,7]phenanthrolin-9(7H)-one
8010-3845 Screening compound: 8-(2,4-dimethoxyphenyl)-8,10,11,12-tetrahydrobenzo[a][4,7]phenanthrolin-9(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3845
8-(2,4-dimethoxyphenyl)-8,10,11,12-tetrahydrobenzo[a][4,7]phenanthrolin-9(7H)-one

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

8010-3845

Molecular Formula

C24H22N2O3 (C24 H22 N2 O3)

Compound Name

8-(2,4-dimethoxyphenyl)-8,10,11,12-tetrahydrobenzo[a][4,7]phenanthrolin-9(7H)-one

IUPAC name

8-(24-dimethoxyphenyl)-7H8H9H10H11H12H-cyclohexa[a]47-phenanthrolin-9-one

SMILES

COc1cc(OC)c(C(C2=C3CCCC2=O)Nc2c3c3cccnc3cc2)cc1

InChI

InChI=1S/C24H22N2O3/c1-28-14-8-9-16(21(13-14)29-2)24-23-17(5-3-7-20(23)27)22-15-6-4-12-25-18(15)10-11-19(22)26-24/h4,6,8-13,24,26H,3,5,7H2,1-2H3/t24-/m0/s1

InChI Key

TWLKBBQOYOWZPI-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01872180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.303

Distribution Coefficient, logD

4.303

Water Solubility, LogSw

-4.55

Polar Surface Area

49.140

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8010-3845 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-3845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3845?
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What is the minimum amount of 8010-3845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3845
  • 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 8010-3845 available by request