F312-0039 Screening compound: 6-bromo-3-[(3-methylpiperidin-1-yl)sulfonyl]-2H-chromen-2-one

F312-0039 Screening compound: 6-bromo-3-[(3-methylpiperidin-1-yl)sulfonyl]-2H-chromen-2-one
F312-0039 Screening compound: 6-bromo-3-[(3-methylpiperidin-1-yl)sulfonyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F312-0039
6-bromo-3-[(3-methylpiperidin-1-yl)sulfonyl]-2H-chromen-2-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

F312-0039

Molecular Formula

C15H16BrNO4S (C15 H16 BrNO4 S)

Compound Name

6-bromo-3-[(3-methylpiperidin-1-yl)sulfonyl]-2H-chromen-2-one

IUPAC name

6-bromo-3-[(3-methylpiperidin-1-yl)sulfonyl]-2H-chromen-2-one

SMILES

CC(CCC1)CN1S(C1=Cc(cc(cc2)Br)c2OC1=O)(=O)=O

InChI

InChI=1S/C15H16BrNO4S/c1-10-3-2-6-17(9-10)22(19,20)14-8-11-7-12(16)4-5-13(11)21-15(14)18/h4-5,7-8,10H,2-3,6,9H2,1H3/t10-/m0/s1

InChI Key

BGSBORCKANRXBG-JTQLQIEISA-N

MDL Number (MFCD)

MFCD11993728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.065

Distribution Coefficient, logD

3.065

Water Solubility, LogSw

-3.45

Polar Surface Area

52.804

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

-6.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

F312-0039 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F312-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F312-0039?
Check Price and Availability of F312-0039, 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 F312-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F312-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F312-0039
  • 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 F312-0039 available by request