C562-1431 Screening compound: N-(4-ethoxyphenyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide

C562-1431 Screening compound: N-(4-ethoxyphenyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide
C562-1431 Screening compound: N-(4-ethoxyphenyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C562-1431
N-(4-ethoxyphenyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide

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

C562-1431

Molecular Formula

C25H25N3O6S (C25 H25 N3 O6 S)

Compound Name

N-(4-ethoxyphenyl)-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-3-phenylpropanamide

IUPAC name

N-(4-ethoxyphenyl)-2-(3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamido)-3-phenylpropanamide

SMILES

CCOc(cc1)ccc1NC(C(Cc1ccccc1)NS(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O)=O

InChI

InChI=1S/C25H25N3O6S/c1-3-33-19-11-9-18(10-12-19)26-24(29)21(15-17-7-5-4-6-8-17)27-35(31,32)20-13-14-22-23(16-20)34-25(30)28(22)2/h4-14,16,21,27H,3,15H2,1-2H3,(H,26,29)/t21-/m0/s1

InChI Key

MWWXUXSDDPRFET-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14772054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.829

Distribution Coefficient, logD

3.829

Water Solubility, LogSw

-4.08

Polar Surface Area

94.921

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C562-1431 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C562-1431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C562-1431?
Check Price and Availability of C562-1431, 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 C562-1431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C562-1431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C562-1431
  • 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 C562-1431 available by request