2641-1587 Screening compound: 5-[4-(benzyloxy)phenyl]-2-phenyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

2641-1587 Screening compound: 5-[4-(benzyloxy)phenyl]-2-phenyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one
2641-1587 Screening compound: 5-[4-(benzyloxy)phenyl]-2-phenyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2641-1587
5-[4-(benzyloxy)phenyl]-2-phenyl-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

2641-1587

Molecular Formula

C36H29NO2 (C36 H29 NO2)

Compound Name

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

IUPAC name

5-[4-(benzyloxy)phenyl]-2-phenyl-1H2H3H4H5H6H-benzo[a]phenanthridin-4-one

SMILES

O=C(CC(C1)c2ccccc2)C2=C1c(c1ccccc1cc1)c1NC2c(cc1)ccc1OCc1ccccc1

InChI

InChI=1S/C36H29NO2/c38-33-22-28(25-11-5-2-6-12-25)21-31-34-30-14-8-7-13-26(30)17-20-32(34)37-36(35(31)33)27-15-18-29(19-16-27)39-23-24-9-3-1-4-10-24/h1-20,28,36-37H,21-23H2

InChI Key

GQLQRRCRASNKLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02108876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.118

Distribution Coefficient, logD

8.118

Water Solubility, LogSw

-7.31

Polar Surface Area

31.888

Acid Dissociation Constant (pKa)

15.40

Base Dissociation Constant (pKb)

-3.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.90

2641-1587 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 2641-1587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2641-1587?
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What is the minimum amount of 2641-1587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2641-1587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2641-1587
  • 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 2641-1587 available by request