K906-3777 Screening compound: 1-[1-({3-methyl-5-[(1E)-2-(3-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]azepane

K906-3777 Screening compound: 1-[1-({3-methyl-5-[(1E)-2-(3-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]azepane
K906-3777 Screening compound: 1-[1-({3-methyl-5-[(1E)-2-(3-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-3777
1-[1-({3-methyl-5-[(1E)-2-(3-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-4-carbonyl]azepane

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

K906-3777

Molecular Formula

C25H33N3O4S (C25 H33 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(/C=C/c2cc(C)ccc2)c1S(N(CC1)CCC1C(N1CCCCCC1)=O)(=O)=O

InChI

InChI=1S/C25H33N3O4S/c1-19-8-7-9-21(18-19)10-11-23-24(20(2)26-32-23)33(30,31)28-16-12-22(13-17-28)25(29)27-14-5-3-4-6-15-27/h7-11,18,22H,3-6,12-17H2,1-2H3

InChI Key

HOUMBXXWEDRLCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.62

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

4.228

Distribution Coefficient, logD

4.228

Water Solubility, LogSw

-4.21

Polar Surface Area

70.444

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

K906-3777 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K906-3777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-3777?
Check Price and Availability of K906-3777, 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 K906-3777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-3777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-3777
  • 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 K906-3777 available by request