0710-2613 Screening compound: (E)-N-[5-(3-chloroadamantan-1-yl)-2-methylphenyl]-1-[4-(dodecyloxy)phenyl]methanimine

0710-2613 Screening compound: (E)-N-[5-(3-chloroadamantan-1-yl)-2-methylphenyl]-1-[4-(dodecyloxy)phenyl]methanimine
0710-2613 Screening compound: (E)-N-[5-(3-chloroadamantan-1-yl)-2-methylphenyl]-1-[4-(dodecyloxy)phenyl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0710-2613
(E)-N-[5-(3-chloroadamantan-1-yl)-2-methylphenyl]-1-[4-(dodecyloxy)phenyl]methanimine

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

0710-2613

Molecular Formula

C36H50ClNO (C36 H50 ClNO)

Compound Name

(E)-N-[5-(3-chloroadamantan-1-yl)-2-methylphenyl]-1-[4-(dodecyloxy)phenyl]methanimine

IUPAC name

(E)-N-[5-(3-chloroadamantan-1-yl)-2-methylphenyl]-1-[4-(dodecyloxy)phenyl]methanimine

SMILES

CCCCCCCCCCCCOc1ccc(/C=N/c2c(C)ccc(C(CC(C3)C4)(CC3C3)CC34Cl)c2)cc1

InChI

InChI=1S/C36H50ClNO/c1-3-4-5-6-7-8-9-10-11-12-19-39-33-17-14-29(15-18-33)26-38-34-21-32(16-13-28(34)2)35-22-30-20-31(23-35)25-36(37,24-30)27-35/h13-18,21,26,30-31H,3-12,19-20,22-25,27H2,1-2H3

InChI Key

IJBVZLLTDLRKRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.25

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

12.347

Distribution Coefficient, logD

12.347

Water Solubility, LogSw

-6.62

Polar Surface Area

14.848

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.90

0710-2613 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0710-2613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0710-2613?
Check Price and Availability of 0710-2613, 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 0710-2613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0710-2613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0710-2613
  • 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 0710-2613 available by request