K788-9105 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide

K788-9105 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide
K788-9105 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9105
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}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

K788-9105

Molecular Formula

C28H36N4O3S (C28 H36 N4 O3 S)

Compound Name

N-[3-(4-benzylpiperazin-1-yl)propyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide

IUPAC name

N-[3-(4-benzylpiperazin-1-yl)propyl]-2-{[5-methyl-2-(4-methylphenyl)-13-oxazol-4-yl]methanesulfinyl}acetamide

SMILES

Cc1c(CS(CC(NCCCN2CCN(Cc3ccccc3)CC2)=O)=O)nc(-c2ccc(C)cc2)o1

InChI

InChI=1S/C28H38N4O3S/c1-22-9-11-25(12-10-22)28-30-26(23(2)35-28)20-36(34)21-27(33)29-13-6-14-31-15-17-32(18-16-31)19-24-7-4-3-5-8-24/h3-5,7-12H,6,13-21,36H2,1-2H3,(H,29,33)

InChI Key

PHMXROSKDJIVFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.598

Distribution Coefficient, logD

1.779

Water Solubility, LogSw

-3.01

Polar Surface Area

64.969

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

K788-9105 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 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
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K788-9105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9105?
Check Price and Availability of K788-9105, 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 K788-9105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9105
  • 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 K788-9105 available by request