8013-9899 Screening compound: 4-bromo-2-(2-methyl-1,2,3,4-tetrahydrobenzo[a]phenanthridin-5-yl)phenol

8013-9899 Screening compound: 4-bromo-2-(2-methyl-1,2,3,4-tetrahydrobenzo[a]phenanthridin-5-yl)phenol
8013-9899 Screening compound: 4-bromo-2-(2-methyl-1,2,3,4-tetrahydrobenzo[a]phenanthridin-5-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-9899
4-bromo-2-(2-methyl-1,2,3,4-tetrahydrobenzo[a]phenanthridin-5-yl)phenol

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

8013-9899

Molecular Formula

C24H20BrNO (C24 H20 BrNO)

Compound Name

4-bromo-2-(2-methyl-1,2,3,4-tetrahydrobenzo[a]phenanthridin-5-yl)phenol

IUPAC name

4-bromo-2-{2-methyl-1H2H3H4H-benzo[a]phenanthridin-5-yl}phenol

SMILES

CC(CC1)Cc2c1c(-c(cc(cc1)Br)c1O)nc1ccc(cccc3)c3c12

InChI

InChI=1S/C24H20BrNO/c1-14-6-9-18-19(12-14)23-17-5-3-2-4-15(17)7-10-21(23)26-24(18)20-13-16(25)8-11-22(20)27/h2-5,7-8,10-11,13-14,27H,6,9,12H2,1H3/t14-/m1/s1

InChI Key

RENXPLYJQBTTFQ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03764921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.33

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

7.998

Distribution Coefficient, logD

7.992

Water Solubility, LogSw

-6.99

Polar Surface Area

25.265

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.83

References: we are preparing a list of scientific research reports with 8013-9899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-9899?
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What is the minimum amount of 8013-9899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-9899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-9899
  • 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 8013-9899 available by request