K906-3616 Screening compound: 1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-4-(piperidine-1-carbonyl)piperidine

K906-3616 Screening compound: 1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-4-(piperidine-1-carbonyl)piperidine
K906-3616 Screening compound: 1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-4-(piperidine-1-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-3616
1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-4-(piperidine-1-carbonyl)piperidine

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

K906-3616

Molecular Formula

C24H31N3O4S (C24 H31 N3 O4 S)

Compound Name

1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-4-(piperidine-1-carbonyl)piperidine

IUPAC name

1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-12-oxazol-4-yl}sulfonyl)-4-(piperidine-1-carbonyl)piperidine

SMILES

Cc1noc(/C=C/c2ccc(C)cc2)c1S(N(CC1)CCC1C(N1CCCCC1)=O)(=O)=O

InChI

InChI=1S/C24H31N3O4S/c1-18-6-8-20(9-7-18)10-11-22-23(19(2)25-31-22)32(29,30)27-16-12-21(13-17-27)24(28)26-14-4-3-5-15-26/h6-11,21H,3-5,12-17H2,1-2H3

InChI Key

GELNLLSGBDZBGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.574

Distribution Coefficient, logD

3.574

Water Solubility, LogSw

-3.53

Polar Surface Area

70.113

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K906-3616 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with K906-3616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-3616?
Check Price and Availability of K906-3616, 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 K906-3616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-3616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-3616
  • 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 K906-3616 available by request