8010-2732 Screening compound: 2-bromo-4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-6-methoxyphenyl acetate

8010-2732 Screening compound: 2-bromo-4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-6-methoxyphenyl acetate
8010-2732 Screening compound: 2-bromo-4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-6-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2732
2-bromo-4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-6-methoxyphenyl acetate

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

8010-2732

Molecular Formula

C28H26BrNO4 (C28 H26 BrNO4)

Compound Name

2-bromo-4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}-6-methoxyphenyl acetate

IUPAC name

2-bromo-4-{22-dimethyl-4-oxo-1H2H3H4H5H6H-benzo[a]phenanthridin-5-yl}-6-methoxyphenyl acetate

SMILES

CC(C)(CC1=C2C(c(cc3OC)cc(Br)c3OC(C)=O)Nc3c1c1ccccc1cc3)CC2=O

InChI

InChI=1S/C28H26BrNO4/c1-15(31)34-27-20(29)11-17(12-23(27)33-4)26-25-19(13-28(2,3)14-22(25)32)24-18-8-6-5-7-16(18)9-10-21(24)30-26/h5-12,26,30H,13-14H2,1-4H3/t26-/m0/s1

InChI Key

FUDUBOIVGOQZJK-SANMLTNESA-N

MDL Number (MFCD)

MFCD01785670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.729

Distribution Coefficient, logD

5.729

Water Solubility, LogSw

-6.91

Polar Surface Area

53.487

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

8010-2732 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8010-2732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2732?
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What is the minimum amount of 8010-2732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2732
  • 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 8010-2732 available by request