8007-8331 Screening compound: 8,8'-bis[(E)-[(2-ethylphenyl)imino]methyl]-3,3'-dimethyl-5,5'-bis(propan-2-yl)-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexol

8007-8331 Screening compound: 8,8'-bis[(E)-[(2-ethylphenyl)imino]methyl]-3,3'-dimethyl-5,5'-bis(propan-2-yl)-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexol
8007-8331 Screening compound: 8,8'-bis[(E)-[(2-ethylphenyl)imino]methyl]-3,3'-dimethyl-5,5'-bis(propan-2-yl)-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-8331
8,8'-bis[(E)-[(2-ethylphenyl)imino]methyl]-3,3'-dimethyl-5,5'-bis(propan-2-yl)-[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

8007-8331

Molecular Formula

C46H48N2O6 (C46 H48 N2 O6)

Compound Name

8,8'-bis[(E)-[(2-ethylphenyl)imino]methyl]-3,3'-dimethyl-5,5'-bis(propan-2-yl)-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexol

IUPAC name

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

SMILES

CCc(cccc1)c1/N=C/c(c(O)c(c(C(C)C)c1cc2C)O)c1c(O)c2-c(c(C)cc(c1c2/C=N/c3c(CC)cccc3)c(C(C)C)c(O)c2O)c1O

InChI

InChI=1S/C46H48N2O6/c1-9-27-15-11-13-17-33(27)47-21-31-39-29(35(23(3)4)45(53)41(31)49)19-25(7)37(43(39)51)38-26(8)20-30-36(24(5)6)46(54)42(50)32(40(30)44(38)52)22-48-34-18-14-12-16-28(34)10-2/h11-24,49-54H,9-10H2,1-8H3

InChI Key

TUOGDJVYZJBEEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01204953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

724.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

12.412

Distribution Coefficient, logD

12.397

Water Solubility, LogSw

-6.14

Polar Surface Area

107.158

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

8007-8331 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 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
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 8007-8331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-8331?
Check Price and Availability of 8007-8331, 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 8007-8331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-8331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-8331
  • 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 8007-8331 available by request