0104-0083 Screening compound: octyl 3-(1-hydroxynaphthalene-2-amido)-4-methoxybenzoate

0104-0083 Screening compound: octyl 3-(1-hydroxynaphthalene-2-amido)-4-methoxybenzoate
0104-0083 Screening compound: octyl 3-(1-hydroxynaphthalene-2-amido)-4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0104-0083
octyl 3-(1-hydroxynaphthalene-2-amido)-4-methoxybenzoate

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

0104-0083

Molecular Formula

C27H31NO5 (C27 H31 NO5)

Compound Name

octyl 3-(1-hydroxynaphthalene-2-amido)-4-methoxybenzoate

IUPAC name

octyl 3-(1-hydroxynaphthalene-2-amido)-4-methoxybenzoate

SMILES

CCCCCCCCOC(c(cc1)cc(NC(c(ccc2ccccc22)c2O)=O)c1OC)=O

InChI

InChI=1S/C27H31NO5/c1-3-4-5-6-7-10-17-33-27(31)20-14-16-24(32-2)23(18-20)28-26(30)22-15-13-19-11-8-9-12-21(19)25(22)29/h8-9,11-16,18,29H,3-7,10,17H2,1-2H3,(H,28,30)

InChI Key

XYBIZOIFRTYCDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00320542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.572

Distribution Coefficient, logD

7.281

Water Solubility, LogSw

-6.53

Polar Surface Area

66.518

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0104-0083 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 0104-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0104-0083?
Check Price and Availability of 0104-0083, 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 0104-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0104-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0104-0083
  • 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 0104-0083 available by request