S929-4448 Screening compound: 2-[(1-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}pyrrolidin-3-yl)methyl]-5-(2-methylpropyl)-1,3,4-oxadiazole

S929-4448 Screening compound: 2-[(1-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}pyrrolidin-3-yl)methyl]-5-(2-methylpropyl)-1,3,4-oxadiazole
S929-4448 Screening compound: 2-[(1-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}pyrrolidin-3-yl)methyl]-5-(2-methylpropyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S929-4448
2-[(1-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-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

S929-4448

Molecular Formula

C22H30N6O3 (C22 H30 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Cc1nnc(CC(CC2)CN2C(c2noc(C)c2Cn2nc(C)cc2C)=O)o1

InChI

InChI=1S/C22H30N6O3/c1-13(2)8-19-23-24-20(30-19)10-17-6-7-27(11-17)22(29)21-18(16(5)31-26-21)12-28-15(4)9-14(3)25-28/h9,13,17H,6-8,10-12H2,1-5H3/t17-/m0/s1

InChI Key

IWHOSOZFILZTHK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31999843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.071

Distribution Coefficient, logD

2.071

Water Solubility, LogSw

-2.19

Polar Surface Area

83.000

Acid Dissociation Constant (pKa)

24.19

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

S929-4448 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S929-4448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S929-4448?
Check Price and Availability of S929-4448, 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 S929-4448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S929-4448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S929-4448
  • 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 S929-4448 available by request