K788-3951 Screening compound: N-(3-ethoxypropyl)-5-{[(2-fluorophenyl)methanesulfonyl]methyl}furan-2-carboxamide

K788-3951 Screening compound: N-(3-ethoxypropyl)-5-{[(2-fluorophenyl)methanesulfonyl]methyl}furan-2-carboxamide
K788-3951 Screening compound: N-(3-ethoxypropyl)-5-{[(2-fluorophenyl)methanesulfonyl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3951
N-(3-ethoxypropyl)-5-{[(2-fluorophenyl)methanesulfonyl]methyl}furan-2-carboxamide

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

K788-3951

Molecular Formula

C18H22FNO5S (C18 H22 FNO5 S)

Compound Name

N-(3-ethoxypropyl)-5-{[(2-fluorophenyl)methanesulfonyl]methyl}furan-2-carboxamide

IUPAC name

N-(3-ethoxypropyl)-5-{[(2-fluorophenyl)methanesulfonyl]methyl}furan-2-carboxamide

SMILES

CCOCCCNC(c1ccc(CS(Cc(cccc2)c2F)(=O)=O)o1)=O

InChI

InChI=1S/C18H22FNO5S/c1-2-24-11-5-10-20-18(21)17-9-8-15(25-17)13-26(22,23)12-14-6-3-4-7-16(14)19/h3-4,6-9H,2,5,10-13H2,1H3,(H,20,21)

InChI Key

BIVLYLXIIAHHPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.197

Distribution Coefficient, logD

2.197

Water Solubility, LogSw

-2.57

Polar Surface Area

68.612

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

K788-3951 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K788-3951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3951?
Check Price and Availability of K788-3951, 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 K788-3951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3951
  • 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 K788-3951 available by request