8002-7447 Screening compound: 5-[7-(3,5-dicarboxyphenyl)-1,3,6,8-tetraoxo-3,6,7,8-tetrahydrobenzo[lmn][3,8]phenanthrolin-2(1H)-yl]isophthalic acid

8002-7447 Screening compound: 5-[7-(3,5-dicarboxyphenyl)-1,3,6,8-tetraoxo-3,6,7,8-tetrahydrobenzo[lmn][3,8]phenanthrolin-2(1H)-yl]isophthalic acid
8002-7447 Screening compound: 5-[7-(3,5-dicarboxyphenyl)-1,3,6,8-tetraoxo-3,6,7,8-tetrahydrobenzo[lmn][3,8]phenanthrolin-2(1H)-yl]isophthalic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-7447
5-[7-(3,5-dicarboxyphenyl)-1,3,6,8-tetraoxo-3,6,7,8-tetrahydrobenzo[lmn][3,8]phenanthrolin-2(1H)-yl]isophthalic 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

8002-7447

Molecular Formula

C30H14N2O12 (C30 H14 N2 O12)

Compound Name

5-[7-(3,5-dicarboxyphenyl)-1,3,6,8-tetraoxo-3,6,7,8-tetrahydrobenzo[lmn][3,8]phenanthrolin-2(1H)-yl]isophthalic acid

IUPAC name

5-[13-(35-dicarboxyphenyl)-571214-tetraoxo-613-diazatetracyclo[6.6.2.0^{416}.0^{1115}]hexadeca-138(16)911(15)-pentaen-6-yl]benzene-13-dicarboxylic acid

SMILES

OC(c1cc(N(C(c(cc2)c(c3ccc4C(N5c6cc(C(O)=O)cc(C(O)=O)c6)=O)c4c2C5=O)=O)C3=O)cc(C(O)=O)c1)=O

InChI

InChI=1S/C30H14N2O12/c33-23-17-1-2-18-22-20(26(36)32(24(18)34)16-9-13(29(41)42)6-14(10-16)30(43)44)4-3-19(21(17)22)25(35)31(23)15-7-11(27(37)38)5-12(8-15)28(39)40/h1-10H,(H,37,38)(H,39,40)(H,41,42)(H,43,44)

InChI Key

RYFYCPDCRKHALS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00306176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.45

Hydrogen Bond Acceptors Count

20.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

3.087

Distribution Coefficient, logD

-0.080

Water Solubility, LogSw

-3.46

Polar Surface Area

170.150

Acid Dissociation Constant (pKa)

4.23

Base Dissociation Constant (pKb)

-9.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8002-7447 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8002-7447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-7447?
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What is the minimum amount of 8002-7447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-7447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-7447
  • 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 8002-7447 available by request