0105-0085 Screening compound: 3-(4-{2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetamido}phenyl)-N-(3-methoxyphenyl)-3-oxopropanamide

0105-0085 Screening compound: 3-(4-{2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetamido}phenyl)-N-(3-methoxyphenyl)-3-oxopropanamide
0105-0085 Screening compound: 3-(4-{2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetamido}phenyl)-N-(3-methoxyphenyl)-3-oxopropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0105-0085
3-(4-{2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetamido}phenyl)-N-(3-methoxyphenyl)-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

0105-0085

Molecular Formula

C34H42N2O5 (C34 H42 N2 O5)

Compound Name

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

IUPAC name

3-(4-{2-[24-bis(2-methylbutan-2-yl)phenoxy]acetamido}phenyl)-N-(3-methoxyphenyl)-3-oxopropanamide

SMILES

CCC(C)(C)c(cc1)cc(C(C)(C)CC)c1OCC(Nc(cc1)ccc1C(CC(Nc1cc(OC)ccc1)=O)=O)=O

InChI

InChI=1S/C34H42N2O5/c1-8-33(3,4)24-15-18-30(28(19-24)34(5,6)9-2)41-22-32(39)35-25-16-13-23(14-17-25)29(37)21-31(38)36-26-11-10-12-27(20-26)40-7/h10-20H,8-9,21-22H2,1-7H3,(H,35,39)(H,36,38)

InChI Key

HXCMMUPZLLPFIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00601790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.72

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.356

Distribution Coefficient, logD

7.352

Water Solubility, LogSw

-5.68

Polar Surface Area

74.370

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.20

0105-0085 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 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
  • Cardiovascular
  • Metabolic
  • 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 0105-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0105-0085?
Check Price and Availability of 0105-0085, 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 0105-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0105-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0105-0085
  • 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 0105-0085 available by request