F895-2229 Screening compound: ethyl 3-{2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamido]acetamido}benzoate

F895-2229 Screening compound: ethyl 3-{2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamido]acetamido}benzoate
F895-2229 Screening compound: ethyl 3-{2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamido]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F895-2229
ethyl 3-{2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-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

F895-2229

Molecular Formula

C20H22N4O6S2 (C20 H22 N4 O6 S2)

Compound Name

ethyl 3-{2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamido]acetamido}benzoate

IUPAC name

ethyl 3-{2-[5-(5-ethyl-124-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamido]acetamido}benzoate

SMILES

CCc1nc(-c2cc(S(NCC(Nc3cc(C(OCC)=O)ccc3)=O)(=O)=O)c(C)s2)no1

InChI

InChI=1S/C20H22N4O6S2/c1-4-18-23-19(24-30-18)15-10-16(12(3)31-15)32(27,28)21-11-17(25)22-14-8-6-7-13(9-14)20(26)29-5-2/h6-10,21H,4-5,11H2,1-3H3,(H,22,25)

InChI Key

HGYBWZXKDWXXEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27202692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.207

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-4.22

Polar Surface Area

118.261

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F895-2229 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F895-2229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F895-2229?
Check Price and Availability of F895-2229, 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 F895-2229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F895-2229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F895-2229
  • 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 F895-2229 available by request