8015-6345 Screening compound: 2-ethoxy-2-oxo-1-phenylethyl 6-bromo-2-(3,4-dimethylphenyl)-4-quinolinecarboxylate

8015-6345 Screening compound: 2-ethoxy-2-oxo-1-phenylethyl 6-bromo-2-(3,4-dimethylphenyl)-4-quinolinecarboxylate
8015-6345 Screening compound: 2-ethoxy-2-oxo-1-phenylethyl 6-bromo-2-(3,4-dimethylphenyl)-4-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6345
2-ethoxy-2-oxo-1-phenylethyl 6-bromo-2-(3,4-dimethylphenyl)-4-quinolinecarboxylate

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

8015-6345

Molecular Formula

C28H24BrNO4 (C28 H24 BrNO4)

Compound Name

2-ethoxy-2-oxo-1-phenylethyl 6-bromo-2-(3,4-dimethylphenyl)-4-quinolinecarboxylate

IUPAC name

ethyl 2-[6-bromo-2-(34-dimethylphenyl)quinoline-4-carbonyloxy]-2-phenylacetate

SMILES

CCOC(C(c1ccccc1)OC(c1c(cc(cc2)Br)c2nc(-c2cc(C)c(C)cc2)c1)=O)=O

InChI

InChI=1S/C28H24BrNO4/c1-4-33-28(32)26(19-8-6-5-7-9-19)34-27(31)23-16-25(20-11-10-17(2)18(3)14-20)30-24-13-12-21(29)15-22(23)24/h5-16,26H,4H2,1-3H3/t26-/m1/s1

InChI Key

HKLZJJCNYWVOFW-AREMUKBSSA-N

MDL Number (MFCD)

MFCD05102495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.016

Distribution Coefficient, logD

7.980

Water Solubility, LogSw

-5.79

Polar Surface Area

49.185

Acid Dissociation Constant (pKa)

20.73

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.86

8015-6345 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 8015-6345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6345?
Check Price and Availability of 8015-6345, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-6345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6345
  • 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 8015-6345 available by request