F537-0105 Screening compound: 6-{[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

F537-0105 Screening compound: 6-{[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
F537-0105 Screening compound: 6-{[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F537-0105
6-{[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

F537-0105

Molecular Formula

C17H21N3O6S (C17 H21 N3 O6 S)

Compound Name

6-{[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-{[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(C1OCCC1)N(CC1)CCN1S(c(cc1)cc(N2)c1OCC2=O)(=O)=O

InChI

InChI=1S/C17H21N3O6S/c21-16-11-26-14-4-3-12(10-13(14)18-16)27(23,24)20-7-5-19(6-8-20)17(22)15-2-1-9-25-15/h3-4,10,15H,1-2,5-9,11H2,(H,18,21)/t15-/m0/s1

InChI Key

PDIGKFIHOJSKFP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27173619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.229

Distribution Coefficient, logD

-0.229

Water Solubility, LogSw

-2.30

Polar Surface Area

90.088

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

F537-0105 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F537-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F537-0105?
Check Price and Availability of F537-0105, 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 F537-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F537-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F537-0105
  • 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 F537-0105 available by request