S696-0538 Screening compound: 1-({1-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-3-AZETANYL}METHYL)-5-METHYL-2-TETRAHYDRO-2H-PYRAN-4-YL-1H-IMIDAZOLE

S696-0538 Screening compound: 1-({1-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-3-AZETANYL}METHYL)-5-METHYL-2-TETRAHYDRO-2H-PYRAN-4-YL-1H-IMIDAZOLE
S696-0538 Screening compound: 1-({1-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-3-AZETANYL}METHYL)-5-METHYL-2-TETRAHYDRO-2H-PYRAN-4-YL-1H-IMIDAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound S696-0538
1-({1-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-3-AZETANYL}METHYL)-5-METHYL-2-TETRAHYDRO-2H-PYRAN-4-YL-1H-IMIDAZOLE

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

S696-0538

Molecular Formula

C19H29N5O (C19 H29 N5 O)

Compound Name

1-({1-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-3-AZETANYL}METHYL)-5-METHYL-2-TETRAHYDRO-2H-PYRAN-4-YL-1H-IMIDAZOLE

IUPAC name

n/a

SMILES

CCn1ncc(CN2CC(Cn3c(C4CCOCC4)ncc3C)C2)c1

InChI

InChI=1S/C19H29N5O/c1-3-23-13-16(9-21-23)10-22-11-17(12-22)14-24-15(2)8-20-19(24)18-4-6-25-7-5-18/h8-9,13,17-18H,3-7,10-12,14H2,1-2H3

InChI Key

UQLFYUWELHCRGL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.646

Distribution Coefficient, logD

-5.775

Water Solubility, LogSw

-1.25

Polar Surface Area

37.685

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

14.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

S696-0538 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S696-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S696-0538?
Check Price and Availability of S696-0538, 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 S696-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S696-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S696-0538
  • 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 S696-0538 available by request