1809-0451 Screening compound: 5-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

1809-0451 Screening compound: 5-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one
1809-0451 Screening compound: 5-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1809-0451
5-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-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

1809-0451

Molecular Formula

C33H30BrNO3 (C33 H30 BrNO3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(CC1=C2C(c(cc3OC)cc(Br)c3OCc3ccccc3)Nc3c1c1ccccc1cc3)CC2=O

InChI

InChI=1S/C33H30BrNO3/c1-33(2)17-24-29-23-12-8-7-11-21(23)13-14-26(29)35-31(30(24)27(36)18-33)22-15-25(34)32(28(16-22)37-3)38-19-20-9-5-4-6-10-20/h4-16,31,35H,17-19H2,1-3H3/t31-/m0/s1

InChI Key

SRDJFFCEZRFJKF-HKBQPEDESA-N

MDL Number (MFCD)

MFCD01029832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.677

Distribution Coefficient, logD

7.677

Water Solubility, LogSw

-7.06

Polar Surface Area

39.963

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.20

1809-0451 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1809-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1809-0451?
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What is the minimum amount of 1809-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1809-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1809-0451
  • 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 1809-0451 available by request