8007-8047 Screening compound: 5-(3-bromophenyl)-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

8007-8047 Screening compound: 5-(3-bromophenyl)-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one
8007-8047 Screening compound: 5-(3-bromophenyl)-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-8047
5-(3-bromophenyl)-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-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

8007-8047

Molecular Formula

C25H22BrNO (C25 H22 BrNO)

Compound Name

5-(3-bromophenyl)-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

IUPAC name

5-(3-bromophenyl)-22-dimethyl-1H2H3H4H5H6H-benzo[a]phenanthridin-4-one

SMILES

CC(C)(CC1=C2C(c3cccc(Br)c3)Nc3c1c1ccccc1cc3)CC2=O

InChI

InChI=1S/C25H22BrNO/c1-25(2)13-19-22-18-9-4-3-6-15(18)10-11-20(22)27-24(23(19)21(28)14-25)16-7-5-8-17(26)12-16/h3-12,24,27H,13-14H2,1-2H3/t24-/m0/s1

InChI Key

DSQADTIMDSAVQD-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD00348778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.448

Distribution Coefficient, logD

6.448

Water Solubility, LogSw

-7.04

Polar Surface Area

24.932

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-3.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

8007-8047 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 8007-8047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-8047?
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What is the minimum amount of 8007-8047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-8047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-8047
  • 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 8007-8047 available by request