8003-0787 Screening compound: 2,6-di-tert-butyl-4-[(E)-({6-[(E)-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]amino]hexyl}imino)methyl]phenol

8003-0787 Screening compound: 2,6-di-tert-butyl-4-[(E)-({6-[(E)-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]amino]hexyl}imino)methyl]phenol
8003-0787 Screening compound: 2,6-di-tert-butyl-4-[(E)-({6-[(E)-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]amino]hexyl}imino)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0787
2,6-di-tert-butyl-4-[(E)-({6-[(E)-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]amino]hexyl}imino)methyl]phenol

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

8003-0787

Molecular Formula

C36H56N2O2 (C36 H56 N2 O2)

Compound Name

2,6-di-tert-butyl-4-[(E)-({6-[(E)-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]amino]hexyl}imino)methyl]phenol

IUPAC name

26-di-tert-butyl-4-[(E)-({6-[(E)-[(35-di-tert-butyl-4-hydroxyphenyl)methylidene]amino]hexyl}imino)methyl]phenol

SMILES

CC(C)(C)c1cc(/C=N/CCCCCC/N=C/c(cc2C(C)(C)C)cc(C(C)(C)C)c2O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C36H56N2O2/c1-33(2,3)27-19-25(20-28(31(27)39)34(4,5)6)23-37-17-15-13-14-16-18-38-24-26-21-29(35(7,8)9)32(40)30(22-26)36(10,11)12/h19-24,39-40H,13-18H2,1-12H3

InChI Key

RLNYFZUZWSGGJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00742826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

10.118

Distribution Coefficient, logD

9.402

Water Solubility, LogSw

-5.85

Polar Surface Area

48.475

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

8.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

8003-0787 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8003-0787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0787?
Check Price and Availability of 8003-0787, 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 8003-0787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0787
  • 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 8003-0787 available by request