K788-3931 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-{[(2-fluorophenyl)methanesulfonyl]methyl}furan-2-carboxamide

K788-3931 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-{[(2-fluorophenyl)methanesulfonyl]methyl}furan-2-carboxamide
K788-3931 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-{[(2-fluorophenyl)methanesulfonyl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3931
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-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

K788-3931

Molecular Formula

C23H31FN2O4S (C23 H31 FN2 O4 S)

Compound Name

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-{[(2-fluorophenyl)methanesulfonyl]methyl}furan-2-carboxamide

IUPAC name

n/a

SMILES

CC1CN(CCCNC(c2ccc(CS(Cc(cccc3)c3F)(=O)=O)o2)=O)CC(C)C1

InChI

InChI=1S/C23H31FN2O4S/c1-17-12-18(2)14-26(13-17)11-5-10-25-23(27)22-9-8-20(30-22)16-31(28,29)15-19-6-3-4-7-21(19)24/h3-4,6-9,17-18H,5,10-16H2,1-2H3,(H,25,27)

InChI Key

BPJDWULDKILAJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.343

Distribution Coefficient, logD

0.796

Water Solubility, LogSw

-3.66

Polar Surface Area

64.213

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

9.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.20

K788-3931 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K788-3931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3931?
Check Price and Availability of K788-3931, 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 K788-3931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3931
  • 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 K788-3931 available by request