8002-7457 Screening compound: 4,4'-{tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis[(1,3-dioxo-1,3-dihydro-2H-isoindole-2,5-diyl)carbonyl]}dibenzoic acid

8002-7457 Screening compound: 4,4'-{tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis[(1,3-dioxo-1,3-dihydro-2H-isoindole-2,5-diyl)carbonyl]}dibenzoic acid
8002-7457 Screening compound: 4,4'-{tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis[(1,3-dioxo-1,3-dihydro-2H-isoindole-2,5-diyl)carbonyl]}dibenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-7457
4,4'-{tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis[(1,3-dioxo-1,3-dihydro-2H-isoindole-2,5-diyl)carbonyl]}dibenzoic acid

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

8002-7457

Molecular Formula

C42H30N2O10 (C42 H30 N2 O10)

Compound Name

4,4'-{tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis[(1,3-dioxo-1,3-dihydro-2H-isoindole-2,5-diyl)carbonyl]}dibenzoic acid

IUPAC name

n/a

SMILES

OC(c(cc1)ccc1C(c(cc1)cc(C(N2C(CC(C3)C4)(CC3C3)CC34N(C(c(cc3)c4cc3C(c(cc3)ccc3C(O)=O)=O)=O)C4=O)=O)c1C2=O)=O)=O

InChI

InChI=1S/C42H30N2O10/c45-33(23-1-5-25(6-2-23)39(51)52)27-9-11-29-31(14-27)37(49)43(35(29)47)41-16-21-13-22(17-41)19-42(18-21,20-41)44-36(48)30-12-10-28(15-32(30)38(44)50)34(46)24-3-7-26(8-4-24)40(53)54/h1-12,14-15,21-22H,13,16-20H2,(H,51,52)(H,53,54)

InChI Key

UTRXAFHTATZQAA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

722.71

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

7.271

Distribution Coefficient, logD

3.665

Water Solubility, LogSw

-5.93

Polar Surface Area

140.622

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

-6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

References: we are preparing a list of scientific research reports with 8002-7457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-7457?
Check Price and Availability of 8002-7457, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8002-7457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-7457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-7457
  • 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 8002-7457 available by request