S696-0426 Screening compound: 2-METHYL-1-{3-[(5-METHYL-2-TETRAHYDRO-2H-PYRAN-4-YL-1H-IMIDAZOL-1-YL)METHYL]-1-AZETANYL}-1-PROPANONE

S696-0426 Screening compound: 2-METHYL-1-{3-[(5-METHYL-2-TETRAHYDRO-2H-PYRAN-4-YL-1H-IMIDAZOL-1-YL)METHYL]-1-AZETANYL}-1-PROPANONE
S696-0426 Screening compound: 2-METHYL-1-{3-[(5-METHYL-2-TETRAHYDRO-2H-PYRAN-4-YL-1H-IMIDAZOL-1-YL)METHYL]-1-AZETANYL}-1-PROPANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S696-0426
2-METHYL-1-{3-[(5-METHYL-2-TETRAHYDRO-2H-PYRAN-4-YL-1H-IMIDAZOL-1-YL)METHYL]-1-AZETANYL}-1-PROPANONE

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

S696-0426

Molecular Formula

C17H27N3O2 (C17 H27 N3 O2)

Compound Name

2-METHYL-1-{3-[(5-METHYL-2-TETRAHYDRO-2H-PYRAN-4-YL-1H-IMIDAZOL-1-YL)METHYL]-1-AZETANYL}-1-PROPANONE

IUPAC name

n/a

SMILES

CC(C)C(N1CC(Cn2c(C3CCOCC3)ncc2C)C1)=O

InChI

InChI=1S/C17H27N3O2/c1-12(2)17(21)19-9-14(10-19)11-20-13(3)8-18-16(20)15-4-6-22-7-5-15/h8,12,14-15H,4-7,9-11H2,1-3H3

InChI Key

NWZDVODFCRHURJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31996139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.202

Distribution Coefficient, logD

0.940

Water Solubility, LogSw

-1.88

Polar Surface Area

36.370

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

8.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.50

References: we are preparing a list of scientific research reports with S696-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S696-0426?
Check Price and Availability of S696-0426, 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 S696-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S696-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S696-0426
  • 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 S696-0426 available by request