F537-0442 Screening compound: 6-[(4-acetylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

F537-0442 Screening compound: 6-[(4-acetylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
F537-0442 Screening compound: 6-[(4-acetylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F537-0442
6-[(4-acetylpiperazin-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

F537-0442

Molecular Formula

C14H17N3O5S (C14 H17 N3 O5 S)

Compound Name

6-[(4-acetylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-[(4-acetylpiperazin-1-yl)sulfonyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

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

InChI

InChI=1S/C14H17N3O5S/c1-10(18)16-4-6-17(7-5-16)23(20,21)11-2-3-13-12(8-11)15-14(19)9-22-13/h2-3,8H,4-7,9H2,1H3,(H,15,19)

InChI Key

JNWWPNJGXSVCIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16921415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.141

Distribution Coefficient, logD

-0.142

Water Solubility, LogSw

-2.45

Polar Surface Area

82.415

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F537-0442 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F537-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F537-0442?
Check Price and Availability of F537-0442, 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 F537-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F537-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F537-0442
  • 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 F537-0442 available by request