S696-1745 Screening compound: 3-(3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}azetidine-1-carbonyl)-1,5-dimethyl-1H-pyrazole

S696-1745 Screening compound: 3-(3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}azetidine-1-carbonyl)-1,5-dimethyl-1H-pyrazole
S696-1745 Screening compound: 3-(3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}azetidine-1-carbonyl)-1,5-dimethyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S696-1745
3-(3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}azetidine-1-carbonyl)-1,5-dimethyl-1H-pyrazole

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

S696-1745

Molecular Formula

C16H23N5O2 (C16 H23 N5 O2)

Compound Name

3-(3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}azetidine-1-carbonyl)-1,5-dimethyl-1H-pyrazole

IUPAC name

3-(3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}azetidine-1-carbonyl)-15-dimethyl-1H-pyrazole

SMILES

Cc1cc(C(N2CC(Cn3c(COC)ncc3C)C2)=O)nn1C

InChI

InChI=1S/C16H23N5O2/c1-11-5-14(18-19(11)3)16(22)20-7-13(8-20)9-21-12(2)6-17-15(21)10-23-4/h5-6,13H,7-10H2,1-4H3

InChI Key

LUHHSHMCBMXOJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31975997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.354

Distribution Coefficient, logD

-0.632

Water Solubility, LogSw

-1.20

Polar Surface Area

52.156

Acid Dissociation Constant (pKa)

24.90

Base Dissociation Constant (pKb)

8.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

S696-1745 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S696-1745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S696-1745?
Check Price and Availability of S696-1745, 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 S696-1745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S696-1745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S696-1745
  • 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 S696-1745 available by request