4367-0637 Screening compound: ethyl (2E)-3-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamoyl)prop-2-enoate

4367-0637 Screening compound: ethyl (2E)-3-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamoyl)prop-2-enoate
4367-0637 Screening compound: ethyl (2E)-3-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamoyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4367-0637
ethyl (2E)-3-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamoyl)prop-2-enoate

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

4367-0637

Molecular Formula

C16H17N3O6S (C16 H17 N3 O6 S)

Compound Name

ethyl (2E)-3-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamoyl)prop-2-enoate

IUPAC name

ethyl (2E)-3-({4-[(5-methyl-12-oxazol-3-yl)sulfamoyl]phenyl}carbamoyl)prop-2-enoate

SMILES

CCOC(/C=C/C(Nc(cc1)ccc1S(Nc1noc(C)c1)(=O)=O)=O)=O

InChI

InChI=1S/C16H17N3O6S/c1-3-24-16(21)9-8-15(20)17-12-4-6-13(7-5-12)26(22,23)19-14-10-11(2)25-18-14/h4-10H,3H2,1-2H3,(H,17,20)(H,18,19)

InChI Key

ANBKTXSKPVXTIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01180242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.195

Distribution Coefficient, logD

0.424

Water Solubility, LogSw

-2.97

Polar Surface Area

105.992

Acid Dissociation Constant (pKa)

5.64

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4367-0637 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4367-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4367-0637?
Check Price and Availability of 4367-0637, 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 4367-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4367-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4367-0637
  • 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 4367-0637 available by request