F315-0452 Screening compound: 1-{[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonyl}azepane

F315-0452 Screening compound: 1-{[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonyl}azepane
F315-0452 Screening compound: 1-{[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound F315-0452
1-{[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonyl}azepane

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

F315-0452

Molecular Formula

C14H18N2O4S (C14 H18 N2 O4 S)

Compound Name

1-{[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonyl}azepane

IUPAC name

1-{[2-methyl-5-(12-oxazol-5-yl)furan-3-yl]sulfonyl}azepane

SMILES

Cc(oc(-c1ccno1)c1)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C14H18N2O4S/c1-11-14(10-13(19-11)12-6-7-15-20-12)21(17,18)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3

InChI Key

KYHVWOGCEJNMLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14948266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.063

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-2.49

Polar Surface Area

62.475

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F315-0452 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F315-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F315-0452?
Check Price and Availability of F315-0452, 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 F315-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F315-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F315-0452
  • 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 F315-0452 available by request