3014-4923 Screening compound: 1-(2-bromo-4,5-dimethoxyphenyl)-1H,2H,3H,4H-benzo[f]quinolin-3-one

3014-4923 Screening compound: 1-(2-bromo-4,5-dimethoxyphenyl)-1H,2H,3H,4H-benzo[f]quinolin-3-one
3014-4923 Screening compound: 1-(2-bromo-4,5-dimethoxyphenyl)-1H,2H,3H,4H-benzo[f]quinolin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3014-4923
1-(2-bromo-4,5-dimethoxyphenyl)-1H,2H,3H,4H-benzo[f]quinolin-3-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

3014-4923

Molecular Formula

C21H18BrNO3 (C21 H18 BrNO3)

Compound Name

1-(2-bromo-4,5-dimethoxyphenyl)-1H,2H,3H,4H-benzo[f]quinolin-3-one

IUPAC name

1-(2-bromo-45-dimethoxyphenyl)-1H2H3H4H-benzo[f]quinolin-3-one

SMILES

COc(c(OC)c1)cc(C(C2)c(c3ccccc3cc3)c3NC2=O)c1Br

InChI

InChI=1S/C21H18BrNO3/c1-25-18-9-14(16(22)11-19(18)26-2)15-10-20(24)23-17-8-7-12-5-3-4-6-13(12)21(15)17/h3-9,11,15H,10H2,1-2H3,(H,23,24)/t15-/m0/s1

InChI Key

VPLLRGQEDZVIBF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01825077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.28

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

4.009

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.53

Polar Surface Area

39.777

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

3014-4923 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3014-4923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3014-4923?
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What is the minimum amount of 3014-4923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3014-4923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3014-4923
  • 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 3014-4923 available by request