F895-2252 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamido]acetamide

F895-2252 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamido]acetamide
F895-2252 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F895-2252
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamido]acetamide

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

F895-2252

Molecular Formula

C19H20N4O6S2 (C19 H20 N4 O6 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamido]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[5-(5-ethyl-124-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamido]acetamide

SMILES

CCc1nc(-c2cc(S(NCC(NCc(cc3)cc4c3OCO4)=O)(=O)=O)c(C)s2)no1

InChI

InChI=1S/C19H20N4O6S2/c1-3-18-22-19(23-29-18)15-7-16(11(2)30-15)31(25,26)21-9-17(24)20-8-12-4-5-13-14(6-12)28-10-27-13/h4-7,21H,3,8-10H2,1-2H3,(H,20,24)

InChI Key

APANGXCDZWDFPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27202700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.160

Distribution Coefficient, logD

3.154

Water Solubility, LogSw

-3.38

Polar Surface Area

115.945

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

F895-2252 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 F895-2252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F895-2252?
Check Price and Availability of F895-2252, 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 F895-2252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F895-2252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F895-2252
  • 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 F895-2252 available by request