C226-3516 Screening compound: 2,4-diethyl 5-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-amido}-3-methylthiophene-2,4-dicarboxylate

C226-3516 Screening compound: 2,4-diethyl 5-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-amido}-3-methylthiophene-2,4-dicarboxylate
C226-3516 Screening compound: 2,4-diethyl 5-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-amido}-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-3516
2,4-diethyl 5-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-amido}-3-methylthiophene-2,4-dicarboxylate

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

C226-3516

Molecular Formula

C20H24N2O6S (C20 H24 N2 O6 S)

Compound Name

2,4-diethyl 5-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-amido}-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-{4H5H6H7H8H-cyclohepta[d][12]oxazole-3-amido}-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c2noc3c2CCCCC3)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C20H24N2O6S/c1-4-26-19(24)14-11(3)16(20(25)27-5-2)29-18(14)21-17(23)15-12-9-7-6-8-10-13(12)28-22-15/h4-10H2,1-3H3,(H,21,23)

InChI Key

HMTBZUDBBLPDIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.918

Distribution Coefficient, logD

0.888

Water Solubility, LogSw

-4.04

Polar Surface Area

87.362

Acid Dissociation Constant (pKa)

4.37

Base Dissociation Constant (pKb)

-5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C226-3516 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Autophagy-Targeted Library (4564 compounds)

Eccentric PPI Library (11937 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C226-3516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-3516?
Check Price and Availability of C226-3516, 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 C226-3516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-3516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-3516
  • 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 C226-3516 available by request