S928-2195 Screening compound: 2-{[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl}-5-(2-methylpropyl)-1,3,4-oxadiazole

S928-2195 Screening compound: 2-{[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl}-5-(2-methylpropyl)-1,3,4-oxadiazole
S928-2195 Screening compound: 2-{[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl}-5-(2-methylpropyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S928-2195
2-{[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl}-5-(2-methylpropyl)-1,3,4-oxadiazole

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

S928-2195

Molecular Formula

C17H24N4O3 (C17 H24 N4 O3)

Compound Name

2-{[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl}-5-(2-methylpropyl)-1,3,4-oxadiazole

IUPAC name

2-{[1-(35-dimethyl-12-oxazole-4-carbonyl)pyrrolidin-3-yl]methyl}-5-(2-methylpropyl)-134-oxadiazole

SMILES

CC(C)Cc1nnc(CC(CC2)CN2C(c2c(C)onc2C)=O)o1

InChI

InChI=1S/C17H24N4O3/c1-10(2)7-14-18-19-15(23-14)8-13-5-6-21(9-13)17(22)16-11(3)20-24-12(16)4/h10,13H,5-9H2,1-4H3/t13-/m0/s1

InChI Key

CUWPWYXRQLXEIX-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD31998699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.020

Distribution Coefficient, logD

2.020

Water Solubility, LogSw

-1.97

Polar Surface Area

69.071

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.71

S928-2195 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S928-2195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S928-2195?
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What is the minimum amount of S928-2195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S928-2195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S928-2195
  • 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 S928-2195 available by request