C517-3869 Screening compound: ethyl 3-{2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamido}benzoate

C517-3869 Screening compound: ethyl 3-{2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamido}benzoate
C517-3869 Screening compound: ethyl 3-{2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-3869
ethyl 3-{2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamido}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

C517-3869

Molecular Formula

C23H25N3O7S (C23 H25 N3 O7 S)

Compound Name

ethyl 3-{2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamido}benzoate

IUPAC name

ethyl 3-{2-[N-(4-methoxyphenyl)35-dimethyl-12-oxazole-4-sulfonamido]acetamido}benzoate

SMILES

CCOC(c1cccc(NC(CN(c(cc2)ccc2OC)S(c2c(C)onc2C)(=O)=O)=O)c1)=O

InChI

InChI=1S/C23H25N3O7S/c1-5-32-23(28)17-7-6-8-18(13-17)24-21(27)14-26(19-9-11-20(31-4)12-10-19)34(29,30)22-15(2)25-33-16(22)3/h6-13H,5,14H2,1-4H3,(H,24,27)

InChI Key

WZCMVISPLOMENV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.582

Distribution Coefficient, logD

3.582

Water Solubility, LogSw

-3.78

Polar Surface Area

105.277

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C517-3869 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

References: we are preparing a list of scientific research reports with C517-3869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-3869?
Check Price and Availability of C517-3869, 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 C517-3869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-3869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-3869
  • 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 C517-3869 available by request