F312-0063 Screening compound: 3-(azepane-1-sulfonyl)-6-methoxy-2H-chromen-2-one

F312-0063 Screening compound: 3-(azepane-1-sulfonyl)-6-methoxy-2H-chromen-2-one
F312-0063 Screening compound: 3-(azepane-1-sulfonyl)-6-methoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F312-0063
3-(azepane-1-sulfonyl)-6-methoxy-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

F312-0063

Molecular Formula

C16H19NO5S (C16 H19 NO5 S)

Compound Name

3-(azepane-1-sulfonyl)-6-methoxy-2H-chromen-2-one

IUPAC name

3-(azepane-1-sulfonyl)-6-methoxy-2H-chromen-2-one

SMILES

COc(cc1)cc(C=C2S(N3CCCCCC3)(=O)=O)c1OC2=O

InChI

InChI=1S/C16H19NO5S/c1-21-13-6-7-14-12(10-13)11-15(16(18)22-14)23(19,20)17-8-4-2-3-5-9-17/h6-7,10-11H,2-5,8-9H2,1H3

InChI Key

SPNJCABGGDNYFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11993864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.520

Distribution Coefficient, logD

2.520

Water Solubility, LogSw

-2.96

Polar Surface Area

60.746

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

-6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

F312-0063 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F312-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F312-0063?
Check Price and Availability of F312-0063, 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 F312-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F312-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F312-0063
  • 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 F312-0063 available by request