S696-0569 Screening compound: N-(butan-2-yl)-3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidine-1-carboxamide

S696-0569 Screening compound: N-(butan-2-yl)-3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidine-1-carboxamide
S696-0569 Screening compound: N-(butan-2-yl)-3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S696-0569
N-(butan-2-yl)-3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidine-1-carboxamide

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

S696-0569

Molecular Formula

C18H30N4O2 (C18 H30 N4 O2)

Compound Name

N-(butan-2-yl)-3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidine-1-carboxamide

IUPAC name

N-(butan-2-yl)-3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidine-1-carboxamide

SMILES

CCC(C)NC(N1CC(Cn2c(C3CCOCC3)ncc2C)C1)=O

InChI

InChI=1S/C18H30N4O2/c1-4-13(2)20-18(23)21-10-15(11-21)12-22-14(3)9-19-17(22)16-5-7-24-8-6-16/h9,13,15-16H,4-8,10-12H2,1-3H3,(H,20,23)/t13-/m0/s1

InChI Key

ZYTVIQQZAJXIFE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD31965330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.489

Distribution Coefficient, logD

1.227

Water Solubility, LogSw

-2.37

Polar Surface Area

45.954

Acid Dissociation Constant (pKa)

16.80

Base Dissociation Constant (pKb)

8.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.78

S696-0569 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with S696-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S696-0569?
Check Price and Availability of S696-0569, 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 S696-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S696-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S696-0569
  • 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 S696-0569 available by request