8009-2915 Screening compound: 5-[4-({6-[(2,3-dimethylphenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}oxy)-3-methoxyphenyl]-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

8009-2915 Screening compound: 5-[4-({6-[(2,3-dimethylphenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}oxy)-3-methoxyphenyl]-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one
8009-2915 Screening compound: 5-[4-({6-[(2,3-dimethylphenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}oxy)-3-methoxyphenyl]-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2915
5-[4-({6-[(2,3-dimethylphenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}oxy)-3-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

8009-2915

Molecular Formula

C38H34N6O4 (C38 H34 N6 O4)

Compound Name

5-[4-({6-[(2,3-dimethylphenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}oxy)-3-methoxyphenyl]-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

IUPAC name

5-[4-({6-[(23-dimethylphenyl)amino]-[125]oxadiazolo[34-b]pyrazin-5-yl}oxy)-3-methoxyphenyl]-22-dimethyl-1H2H3H4H5H6H-benzo[a]phenanthridin-4-one

SMILES

CC(C)(CC1=C2C(c(cc3)cc(OC)c3Oc3nc4nonc4nc3Nc3c(C)c(C)ccc3)Nc3c1c1ccccc1cc3)CC2=O

InChI

InChI=1S/C38H34N6O4/c1-20-9-8-12-26(21(20)2)40-36-37(42-35-34(41-36)43-48-44-35)47-29-16-14-23(17-30(29)46-5)33-32-25(18-38(3,4)19-28(32)45)31-24-11-7-6-10-22(24)13-15-27(31)39-33/h6-17,33,39H,18-19H2,1-5H3,(H,40,41,43)/t33-/m0/s1

InChI Key

RPSZCQKBKATOMM-XIFFEERXSA-N

MDL Number (MFCD)

MFCD01359799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

638.73

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

8.864

Distribution Coefficient, logD

8.864

Water Solubility, LogSw

-6.95

Polar Surface Area

104.212

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.70

8009-2915 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

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 8009-2915 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2915?
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What is the minimum amount of 8009-2915 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2915
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2915
  • 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 8009-2915 available by request