C517-4027 Screening compound: 4,5-dimethoxy-2-{2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamido}benzoic acid

C517-4027 Screening compound: 4,5-dimethoxy-2-{2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamido}benzoic acid
C517-4027 Screening compound: 4,5-dimethoxy-2-{2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-4027
4,5-dimethoxy-2-{2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamido}benzoic acid

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

C517-4027

Molecular Formula

C23H25N3O9S (C23 H25 N3 O9 S)

Compound Name

4,5-dimethoxy-2-{2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamido}benzoic acid

IUPAC name

45-dimethoxy-2-{2-[N-(4-methoxyphenyl)35-dimethyl-12-oxazole-4-sulfonamido]acetamido}benzoic acid

SMILES

Cc1noc(C)c1S(N(CC(Nc(cc(c(OC)c1)OC)c1C(O)=O)=O)c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C23H25N3O9S/c1-13-22(14(2)35-25-13)36(30,31)26(15-6-8-16(32-3)9-7-15)12-21(27)24-18-11-20(34-5)19(33-4)10-17(18)23(28)29/h6-11H,12H2,1-5H3,(H,24,27)(H,28,29)

InChI Key

FKBILSOQVGGSHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.53

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.944

Distribution Coefficient, logD

-1.123

Water Solubility, LogSw

-2.97

Polar Surface Area

127.495

Acid Dissociation Constant (pKa)

4.33

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C517-4027 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C517-4027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-4027?
Check Price and Availability of C517-4027, 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 C517-4027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-4027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-4027
  • 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 C517-4027 available by request