K940-0498 Screening compound: 2-{4-[(4-fluorophenyl)sulfonyl]piperazino}-N~1~-(2-methoxydibenzo[b,d]furan-3-yl)acetamide

K940-0498 Screening compound: 2-{4-[(4-fluorophenyl)sulfonyl]piperazino}-N~1~-(2-methoxydibenzo[b,d]furan-3-yl)acetamide
K940-0498 Screening compound: 2-{4-[(4-fluorophenyl)sulfonyl]piperazino}-N~1~-(2-methoxydibenzo[b,d]furan-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K940-0498
2-{4-[(4-fluorophenyl)sulfonyl]piperazino}-N~1~-(2-methoxydibenzo[b,d]furan-3-yl)acetamide

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

K940-0498

Molecular Formula

C25H24FN3O5S (C25 H24 FN3 O5 S)

Compound Name

2-{4-[(4-fluorophenyl)sulfonyl]piperazino}-N~1~-(2-methoxydibenzo[b,d]furan-3-yl)acetamide

IUPAC name

2-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-N-{4-methoxy-8-oxatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-5-yl}acetamide

SMILES

COc(cc(c(cccc1)c1o1)c1c1)c1NC(CN(CC1)CCN1S(c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C25H24FN3O5S/c1-33-24-14-20-19-4-2-3-5-22(19)34-23(20)15-21(24)27-25(30)16-28-10-12-29(13-11-28)35(31,32)18-8-6-17(26)7-9-18/h2-9,14-15H,10-13,16H2,1H3,(H,27,30)

InChI Key

IISCBGUCYQWBJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.20

Polar Surface Area

73.487

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

K940-0498 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K940-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K940-0498?
Check Price and Availability of K940-0498, 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 K940-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K940-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K940-0498
  • 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 K940-0498 available by request