8008-4330 Screening compound: 5,5'-diisopropyl-8,8'-bis{({E})-[(4-methoxyphenyl)imino]methyl}-3,3'-dimethyl-2,2'-binaphthalene-1,1',6,6',7,7'-hexol

8008-4330 Screening compound: 5,5'-diisopropyl-8,8'-bis{({E})-[(4-methoxyphenyl)imino]methyl}-3,3'-dimethyl-2,2'-binaphthalene-1,1',6,6',7,7'-hexol
8008-4330 Screening compound: 5,5'-diisopropyl-8,8'-bis{({E})-[(4-methoxyphenyl)imino]methyl}-3,3'-dimethyl-2,2'-binaphthalene-1,1',6,6',7,7'-hexol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4330
5,5'-diisopropyl-8,8'-bis{({E})-[(4-methoxyphenyl)imino]methyl}-3,3'-dimethyl-2,2'-binaphthalene-1,1',6,6',7,7'-hexol

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

8008-4330

Molecular Formula

C44H44N2O8 (C44 H44 N2 O8)

Compound Name

5,5'-diisopropyl-8,8'-bis{({E})-[(4-methoxyphenyl)imino]methyl}-3,3'-dimethyl-2,2'-binaphthalene-1,1',6,6',7,7'-hexol

IUPAC name

88'-bis[(E)-[(4-methoxyphenyl)imino]methyl]-33'-dimethyl-55'-bis(propan-2-yl)-[22'-binaphthalene]-11'66'77'-hexol

SMILES

CC(C)c1c(cc(C)c(-c2c(C)cc(c(C(C)C)c(c(O)c3/C=N/c(cc4)ccc4OC)O)c3c2O)c2O)c2c(/C=N/c(cc2)ccc2OC)c(O)c1O

InChI

InChI=1S/C44H44N2O8/c1-21(2)33-29-17-23(5)35(41(49)37(29)31(39(47)43(33)51)19-45-25-9-13-27(53-7)14-10-25)36-24(6)18-30-34(22(3)4)44(52)40(48)32(38(30)42(36)50)20-46-26-11-15-28(54-8)16-12-26/h9-22,47-52H,1-8H3

InChI Key

VPIHXIZMVDZNTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01103360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

728.84

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

10.827

Distribution Coefficient, logD

10.809

Water Solubility, LogSw

-6.28

Polar Surface Area

123.641

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

8008-4330 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8008-4330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4330?
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What is the minimum amount of 8008-4330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4330
  • 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 8008-4330 available by request