0074-0016 Screening compound: 2-methylbutyl 4-[(E)-{[4-(decyloxy)-2-hydroxyphenyl]methylidene}amino]benzoate

0074-0016 Screening compound: 2-methylbutyl 4-[(E)-{[4-(decyloxy)-2-hydroxyphenyl]methylidene}amino]benzoate
0074-0016 Screening compound: 2-methylbutyl 4-[(E)-{[4-(decyloxy)-2-hydroxyphenyl]methylidene}amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0074-0016
2-methylbutyl 4-[(E)-{[4-(decyloxy)-2-hydroxyphenyl]methylidene}amino]benzoate

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

0074-0016

Molecular Formula

C29H41NO4 (C29 H41 NO4)

Compound Name

2-methylbutyl 4-[(E)-{[4-(decyloxy)-2-hydroxyphenyl]methylidene}amino]benzoate

IUPAC name

2-methylbutyl 4-[(E)-{[4-(decyloxy)-2-hydroxyphenyl]methylidene}amino]benzoate

SMILES

CCCCCCCCCCOc1cc(O)c(/C=N/c(cc2)ccc2C(OCC(C)CC)=O)cc1

InChI

InChI=1S/C29H41NO4/c1-4-6-7-8-9-10-11-12-19-33-27-18-15-25(28(31)20-27)21-30-26-16-13-24(14-17-26)29(32)34-22-23(3)5-2/h13-18,20-21,23,31H,4-12,19,22H2,1-3H3/t23-/m0/s1

InChI Key

FFKHLFDVZSDTGX-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00804650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

9.638

Distribution Coefficient, logD

9.619

Water Solubility, LogSw

-5.62

Polar Surface Area

53.461

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.70

0074-0016 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 0074-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0074-0016?
Check Price and Availability of 0074-0016, 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 0074-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0074-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0074-0016
  • 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 0074-0016 available by request