8003-4032 Screening compound: 1,7,8,9-tetraphenyl-4-[2-(3,5,10-trioxo-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

8003-4032 Screening compound: 1,7,8,9-tetraphenyl-4-[2-(3,5,10-trioxo-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione
8003-4032 Screening compound: 1,7,8,9-tetraphenyl-4-[2-(3,5,10-trioxo-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4032
1,7,8,9-tetraphenyl-4-[2-(3,5,10-trioxo-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

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

8003-4032

Molecular Formula

C72H48N2O6 (C72 H48 N2 O6)

Compound Name

1,7,8,9-tetraphenyl-4-[2-(3,5,10-trioxo-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

IUPAC name

1789-tetraphenyl-4-(2-{3510-trioxo-1789-tetraphenyl-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}phenyl)-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-3510-trione

SMILES

O=C(C(C(C(C1=O)(C(c2ccccc2)=C2c3ccccc3)c3ccccc3)C3=O)C12c1ccccc1)N3c(cccc1)c1N(C(C(C1C(C2=O)(C(c3ccccc3)=C3c4ccccc4)c4ccccc4)C23c2ccccc2)=O)C1=O

InChI

InChI=1S/C72H48N2O6/c75-63-59-60(70(50-37-19-6-20-38-50)56(46-29-11-2-12-30-46)55(45-27-9-1-10-28-45)69(59,67(70)79)49-35-17-5-18-36-49)64(76)73(63)53-43-25-26-44-54(53)74-65(77)61-62(66(74)78)72(52-41-23-8-24-42-52)58(48-33-15-4-16-34-48)57(47-31-13-3-14-32-47)71(61,68(72)80)51-39-21-7-22-40-51/h1-44,59-62H

InChI Key

YYAIRJPZNFLZDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00743666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

1037.18

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

11.552

Distribution Coefficient, logD

11.549

Water Solubility, LogSw

-6.32

Polar Surface Area

82.729

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

-11.10

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

11.11

8003-4032 in Drug Discovery

Included in Screening Libraries

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 8003-4032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4032?
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What is the minimum amount of 8003-4032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4032
  • 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 8003-4032 available by request