8013-2733 Screening compound: 4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydro-2H-cyclopenta[g]quinolin-2-one

8013-2733 Screening compound: 4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydro-2H-cyclopenta[g]quinolin-2-one
8013-2733 Screening compound: 4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydro-2H-cyclopenta[g]quinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2733
4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydro-2H-cyclopenta[g]quinolin-2-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

8013-2733

Molecular Formula

C20H21NO3 (C20 H21 NO3)

Compound Name

4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydro-2H-cyclopenta[g]quinolin-2-one

IUPAC name

4-(23-dimethoxyphenyl)-1H2H3H4H6H7H8H-cyclopenta[g]quinolin-2-one

SMILES

COc1cccc(C(C2)c(cc(CCC3)c3c3)c3NC2=O)c1OC

InChI

InChI=1S/C20H21NO3/c1-23-18-8-4-7-14(20(18)24-2)15-11-19(22)21-17-10-13-6-3-5-12(13)9-16(15)17/h4,7-10,15H,3,5-6,11H2,1-2H3,(H,21,22)/t15-/m1/s1

InChI Key

IUNDWRDFGZDBSG-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03632551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.545

Distribution Coefficient, logD

3.545

Water Solubility, LogSw

-3.73

Polar Surface Area

40.422

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

8013-2733 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8013-2733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2733?
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What is the minimum amount of 8013-2733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2733
  • 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 8013-2733 available by request