K788-9228 Screening compound: N-(1-benzylpiperidin-4-yl)-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetamide

K788-9228 Screening compound: N-(1-benzylpiperidin-4-yl)-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetamide
K788-9228 Screening compound: N-(1-benzylpiperidin-4-yl)-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9228
N-(1-benzylpiperidin-4-yl)-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)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

K788-9228

Molecular Formula

C27H33N3O4S (C27 H33 N3 O4 S)

Compound Name

N-(1-benzylpiperidin-4-yl)-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-2-({[2-(34-dimethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)acetamide

SMILES

Cc1c(CSCC(NC2CCN(Cc3ccccc3)CC2)=O)nc(-c(cc2)cc(OC)c2OC)o1

InChI

InChI=1S/C27H33N3O4S/c1-19-23(29-27(34-19)21-9-10-24(32-2)25(15-21)33-3)17-35-18-26(31)28-22-11-13-30(14-12-22)16-20-7-5-4-6-8-20/h4-10,15,22H,11-14,16-18H2,1-3H3,(H,28,31)

InChI Key

ALOPWXGTCHNKJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.795

Distribution Coefficient, logD

2.238

Water Solubility, LogSw

-3.98

Polar Surface Area

61.087

Acid Dissociation Constant (pKa)

15.92

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

K788-9228 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

Anti-HIV1 Library (19540 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:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K788-9228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9228?
Check Price and Availability of K788-9228, 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 K788-9228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9228
  • 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 K788-9228 available by request