6031-1947 Screening compound: 5-{6-hydroxy-5-phenyl-[1,1'-biphenyl]-3-yl}-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

6031-1947 Screening compound: 5-{6-hydroxy-5-phenyl-[1,1'-biphenyl]-3-yl}-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one
6031-1947 Screening compound: 5-{6-hydroxy-5-phenyl-[1,1'-biphenyl]-3-yl}-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6031-1947
5-{6-hydroxy-5-phenyl-[1,1'-biphenyl]-3-yl}-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

6031-1947

Molecular Formula

C37H31NO2 (C37 H31 NO2)

Compound Name

5-{6-hydroxy-5-phenyl-[1,1'-biphenyl]-3-yl}-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

IUPAC name

5-{6-hydroxy-5-phenyl-[11'-biphenyl]-3-yl}-22-dimethyl-1H2H3H4H5H6H-benzo[a]phenanthridin-4-one

SMILES

CC(C)(CC1=C2C(c(cc3-c4ccccc4)cc(-c4ccccc4)c3O)Nc3c1c1ccccc1cc3)CC2=O

InChI

InChI=1S/C37H31NO2/c1-37(2)21-30-33-27-16-10-9-15-25(27)17-18-31(33)38-35(34(30)32(39)22-37)26-19-28(23-11-5-3-6-12-23)36(40)29(20-26)24-13-7-4-8-14-24/h3-20,35,38,40H,21-22H2,1-2H3/t35-/m0/s1

InChI Key

CMBSTDIJTZALQO-DHUJRADRSA-N

MDL Number (MFCD)

MFCD03765244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.66

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.988

Distribution Coefficient, logD

8.988

Water Solubility, LogSw

-6.68

Polar Surface Area

39.868

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-5.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.20

6031-1947 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 6031-1947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6031-1947?
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What is the minimum amount of 6031-1947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6031-1947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6031-1947
  • 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 6031-1947 available by request