C523-0597 Screening compound: 2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-(3-methylbutyl)acetamide

C523-0597 Screening compound: 2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-(3-methylbutyl)acetamide
C523-0597 Screening compound: 2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-(3-methylbutyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C523-0597
2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-(3-methylbutyl)acetamide

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

C523-0597

Molecular Formula

C20H28N2O4S (C20 H28 N2 O4 S)

Compound Name

2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-(3-methylbutyl)acetamide

IUPAC name

2-({[2-(34-dimethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-N-(3-methylbutyl)acetamide

SMILES

CC(C)CCNC(CSCc1c(C)oc(-c(cc2)cc(OC)c2OC)n1)=O

InChI

InChI=1S/C20H28N2O4S/c1-13(2)8-9-21-19(23)12-27-11-16-14(3)26-20(22-16)15-6-7-17(24-4)18(10-15)25-5/h6-7,10,13H,8-9,11-12H2,1-5H3,(H,21,23)

InChI Key

LRPUYEPEBQEXMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14766103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.544

Distribution Coefficient, logD

3.544

Water Solubility, LogSw

-3.76

Polar Surface Area

57.934

Acid Dissociation Constant (pKa)

13.98

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C523-0597 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C523-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C523-0597?
Check Price and Availability of C523-0597, 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 C523-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C523-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C523-0597
  • 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 C523-0597 available by request