8002-7245 Screening compound: 2,2'-[(2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diyl)bis(oxy-3,1-phenylene)]bis(3a,4,7,7a-tetrahydro-1{H}-4,7-methanoisoindole-1,3-dione)

8002-7245 Screening compound: 2,2'-[(2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diyl)bis(oxy-3,1-phenylene)]bis(3a,4,7,7a-tetrahydro-1{H}-4,7-methanoisoindole-1,3-dione)
8002-7245 Screening compound: 2,2'-[(2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diyl)bis(oxy-3,1-phenylene)]bis(3a,4,7,7a-tetrahydro-1{H}-4,7-methanoisoindole-1,3-dione) alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-7245
2,2'-[(2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diyl)bis(oxy-3,1-phenylene)]bis(3a,4,7,7a-tetrahydro-1{H}-4,7-methanoisoindole-1,3-dione)

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

8002-7245

Molecular Formula

C42H24F8N2O6 (C42 H24 F8 N2 O6)

Compound Name

2,2'-[(2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diyl)bis(oxy-3,1-phenylene)]bis(3a,4,7,7a-tetrahydro-1{H}-4,7-methanoisoindole-1,3-dione)

IUPAC name

4-(3-{[4'-(3-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}phenoxy)-22'33'55'66'-octafluoro-[11'-biphenyl]-4-yl]oxy}phenyl)-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

O=C(C(C1C=CC2C1)C2C1=O)N1c1cccc(Oc(c(F)c(c(-c(c(F)c(c(Oc2cc(N(C(C3C4C5C=CC3C5)=O)C4=O)ccc2)c2F)F)c2F)c2F)F)c2F)c1

InChI

InChI=1S/C42H24F8N2O6/c43-29-27(30(44)34(48)37(33(29)47)57-21-5-1-3-19(13-21)51-39(53)23-15-7-8-16(11-15)24(23)40(51)54)28-31(45)35(49)38(36(50)32(28)46)58-22-6-2-4-20(14-22)52-41(55)25-17-9-10-18(12-17)26(25)42(52)56/h1-10,13-18,23-26H,11-12H2

InChI Key

VGWCBSMAYYBEGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00304013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

804.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.546

Distribution Coefficient, logD

7.546

Water Solubility, LogSw

-6.08

Polar Surface Area

72.781

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

-7.66

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

23.81

8002-7245 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8002-7245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-7245?
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What is the minimum amount of 8002-7245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-7245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-7245
  • 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 8002-7245 available by request