8013-4882 Screening compound: 4-(2-butoxyphenyl)-6,7-dimethyl-3,4-dihydro-2(1H)-quinolinone

8013-4882 Screening compound: 4-(2-butoxyphenyl)-6,7-dimethyl-3,4-dihydro-2(1H)-quinolinone
8013-4882 Screening compound: 4-(2-butoxyphenyl)-6,7-dimethyl-3,4-dihydro-2(1H)-quinolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4882
4-(2-butoxyphenyl)-6,7-dimethyl-3,4-dihydro-2(1H)-quinolinone

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

8013-4882

Molecular Formula

C21H25NO2 (C21 H25 NO2)

Compound Name

4-(2-butoxyphenyl)-6,7-dimethyl-3,4-dihydro-2(1H)-quinolinone

IUPAC name

4-(2-butoxyphenyl)-67-dimethyl-1234-tetrahydroquinolin-2-one

SMILES

CCCCOc1c(C(C2)c(cc(C)c(C)c3)c3NC2=O)cccc1

InChI

InChI=1S/C21H25NO2/c1-4-5-10-24-20-9-7-6-8-16(20)17-13-21(23)22-19-12-15(3)14(2)11-18(17)19/h6-9,11-12,17H,4-5,10,13H2,1-3H3,(H,22,23)/t17-/m1/s1

InChI Key

GYTGLJOELJVATL-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03017628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.392

Distribution Coefficient, logD

5.392

Water Solubility, LogSw

-5.29

Polar Surface Area

32.292

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

8013-4882 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-4882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4882?
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What is the minimum amount of 8013-4882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4882
  • 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 8013-4882 available by request