K786-1159 Screening compound: propan-2-yl 2-[(1-{[(furan-2-yl)methyl]carbamoyl}propyl)sulfanyl]pyridine-3-carboxylate

K786-1159 Screening compound: propan-2-yl 2-[(1-{[(furan-2-yl)methyl]carbamoyl}propyl)sulfanyl]pyridine-3-carboxylate
K786-1159 Screening compound: propan-2-yl 2-[(1-{[(furan-2-yl)methyl]carbamoyl}propyl)sulfanyl]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-1159
propan-2-yl 2-[(1-{[(furan-2-yl)methyl]carbamoyl}propyl)sulfanyl]pyridine-3-carboxylate

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

K786-1159

Molecular Formula

C18H22N2O4S (C18 H22 N2 O4 S)

Compound Name

propan-2-yl 2-[(1-{[(furan-2-yl)methyl]carbamoyl}propyl)sulfanyl]pyridine-3-carboxylate

IUPAC name

propan-2-yl 2-[(1-{[(furan-2-yl)methyl]carbamoyl}propyl)sulfanyl]pyridine-3-carboxylate

SMILES

CCC(C(NCc1ccco1)=O)Sc1ncccc1C(OC(C)C)=O

InChI

InChI=1S/C18H22N2O4S/c1-4-15(16(21)20-11-13-7-6-10-23-13)25-17-14(8-5-9-19-17)18(22)24-12(2)3/h5-10,12,15H,4,11H2,1-3H3,(H,20,21)/t15-/m0/s1

InChI Key

PAPUMSCNGQOAGJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15100004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

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

3.495

Distribution Coefficient, logD

3.495

Water Solubility, LogSw

-3.69

Polar Surface Area

62.013

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

K786-1159 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 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:
  • Nervous system

References: we are preparing a list of scientific research reports with K786-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-1159?
Check Price and Availability of K786-1159, 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 K786-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-1159
  • 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 K786-1159 available by request