F630-0861 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide

F630-0861 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
F630-0861 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F630-0861
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide

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

F630-0861

Molecular Formula

C18H17N3O5S2 (C18 H17 N3 O5 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-(5-cyclobutyl-134-oxadiazol-2-yl)thiophene-2-sulfonamide

SMILES

O=S(c1ccc(-c2nnc(C3CCC3)o2)s1)(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C18H17N3O5S2/c22-28(23,19-9-11-4-5-13-14(8-11)25-10-24-13)16-7-6-15(27-16)18-21-20-17(26-18)12-2-1-3-12/h4-8,12,19H,1-3,9-10H2

InChI Key

SEEKHFVVAANHPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27180284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.168

Distribution Coefficient, logD

3.167

Water Solubility, LogSw

-3.31

Polar Surface Area

90.898

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F630-0861 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with F630-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F630-0861?
Check Price and Availability of F630-0861, 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 F630-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F630-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F630-0861
  • 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 F630-0861 available by request