8012-5515 Screening compound: 2-bromo-4-[1-(4-bromophenyl)benzo[f]quinolin-3-yl]-6-ethoxyphenol

8012-5515 Screening compound: 2-bromo-4-[1-(4-bromophenyl)benzo[f]quinolin-3-yl]-6-ethoxyphenol
8012-5515 Screening compound: 2-bromo-4-[1-(4-bromophenyl)benzo[f]quinolin-3-yl]-6-ethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5515
2-bromo-4-[1-(4-bromophenyl)benzo[f]quinolin-3-yl]-6-ethoxyphenol

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

8012-5515

Molecular Formula

C27H19Br2NO2 (C27 H19 Br2 NO2)

Compound Name

2-bromo-4-[1-(4-bromophenyl)benzo[f]quinolin-3-yl]-6-ethoxyphenol

IUPAC name

2-bromo-4-[1-(4-bromophenyl)benzo[f]quinolin-3-yl]-6-ethoxyphenol

SMILES

CCOc1cc(-c2nc3ccc(cccc4)c4c3c(-c(cc3)ccc3Br)c2)cc(Br)c1O

InChI

InChI=1S/C27H19Br2NO2/c1-2-32-25-14-18(13-22(29)27(25)31)24-15-21(17-7-10-19(28)11-8-17)26-20-6-4-3-5-16(20)9-12-23(26)30-24/h3-15,31H,2H2,1H3

InChI Key

REBFBZAWBRFGEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

9.088

Distribution Coefficient, logD

8.744

Water Solubility, LogSw

-6.82

Polar Surface Area

30.444

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

7.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

8012-5515 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-5515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5515?
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What is the minimum amount of 8012-5515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5515
  • 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 8012-5515 available by request