0670-2359 Screening compound: 4'-[(E)-{[5-(3-hydroxyadamantan-1-yl)-2-methylphenyl]imino}methyl]-[1,1'-biphenyl]-4-yl acetate

0670-2359 Screening compound: 4'-[(E)-{[5-(3-hydroxyadamantan-1-yl)-2-methylphenyl]imino}methyl]-[1,1'-biphenyl]-4-yl acetate
0670-2359 Screening compound: 4'-[(E)-{[5-(3-hydroxyadamantan-1-yl)-2-methylphenyl]imino}methyl]-[1,1'-biphenyl]-4-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0670-2359
4'-[(E)-{[5-(3-hydroxyadamantan-1-yl)-2-methylphenyl]imino}methyl]-[1,1'-biphenyl]-4-yl acetate

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

0670-2359

Molecular Formula

C32H33NO3 (C32 H33 NO3)

Compound Name

4'-[(E)-{[5-(3-hydroxyadamantan-1-yl)-2-methylphenyl]imino}methyl]-[1,1'-biphenyl]-4-yl acetate

IUPAC name

4'-[(E)-{[5-(3-hydroxyadamantan-1-yl)-2-methylphenyl]imino}methyl]-[11'-biphenyl]-4-yl acetate

SMILES

CC(Oc(cc1)ccc1-c1ccc(/C=N/c2c(C)ccc(C(CC(C3)C4)(CC3C3)CC34O)c2)cc1)=O

InChI

InChI=1S/C32H33NO3/c1-21-3-10-28(31-15-24-13-25(16-31)18-32(35,17-24)20-31)14-30(21)33-19-23-4-6-26(7-5-23)27-8-11-29(12-9-27)36-22(2)34/h3-12,14,19,24-25,35H,13,15-18,20H2,1-2H3

InChI Key

MGXSRWOTYALFRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.773

Distribution Coefficient, logD

6.773

Water Solubility, LogSw

-5.61

Polar Surface Area

43.034

Acid Dissociation Constant (pKa)

15.93

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

0670-2359 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0670-2359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0670-2359?
Check Price and Availability of 0670-2359, 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 0670-2359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0670-2359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0670-2359
  • 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 0670-2359 available by request