0105-0190 Screening compound: 3-(4-{2-[4-(2-methylbutan-2-yl)phenoxy]acetamido}phenyl)-N-(3-methylphenyl)-3-oxopropanamide

0105-0190 Screening compound: 3-(4-{2-[4-(2-methylbutan-2-yl)phenoxy]acetamido}phenyl)-N-(3-methylphenyl)-3-oxopropanamide
0105-0190 Screening compound: 3-(4-{2-[4-(2-methylbutan-2-yl)phenoxy]acetamido}phenyl)-N-(3-methylphenyl)-3-oxopropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0105-0190
3-(4-{2-[4-(2-methylbutan-2-yl)phenoxy]acetamido}phenyl)-N-(3-methylphenyl)-3-oxopropanamide

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

0105-0190

Molecular Formula

C29H32N2O4 (C29 H32 N2 O4)

Compound Name

3-(4-{2-[4-(2-methylbutan-2-yl)phenoxy]acetamido}phenyl)-N-(3-methylphenyl)-3-oxopropanamide

IUPAC name

3-(4-{2-[4-(2-methylbutan-2-yl)phenoxy]acetamido}phenyl)-N-(3-methylphenyl)-3-oxopropanamide

SMILES

CCC(C)(C)c(cc1)ccc1OCC(Nc(cc1)ccc1C(CC(Nc1cc(C)ccc1)=O)=O)=O

InChI

InChI=1S/C29H32N2O4/c1-5-29(3,4)22-11-15-25(16-12-22)35-19-28(34)30-23-13-9-21(10-14-23)26(32)18-27(33)31-24-8-6-7-20(2)17-24/h6-17H,5,18-19H2,1-4H3,(H,30,34)(H,31,33)

InChI Key

OMYIWUSDEPCCGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00601758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.630

Distribution Coefficient, logD

5.626

Water Solubility, LogSw

-5.44

Polar Surface Area

66.740

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

0105-0190 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Anti-HIV1 Library (19540 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
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0105-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0105-0190?
Check Price and Availability of 0105-0190, 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 0105-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0105-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0105-0190
  • 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 0105-0190 available by request