S831-1928 Screening compound: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]propan-1-one

S831-1928 Screening compound: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
S831-1928 Screening compound: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S831-1928
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]propan-1-one

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

S831-1928

Molecular Formula

C19H25N3O3 (C19 H25 N3 O3)

Compound Name

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]propan-1-one

IUPAC name

3-(35-dimethyl-12-oxazol-4-yl)-1-[(3S4S)-3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]propan-1-one

SMILES

Cc1noc(C)c1CCC(N(C[C@@H]1COC)C[C@@H]1c1ncccc1)=O

InChI

InChI=1S/C19H25N3O3/c1-13-16(14(2)25-21-13)7-8-19(23)22-10-15(12-24-3)17(11-22)18-6-4-5-9-20-18/h4-6,9,15,17H,7-8,10-12H2,1-3H3/t15-,17+/m0/s1

InChI Key

BYDUGQHOXPAFRO-DOTOQJQBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.389

Distribution Coefficient, logD

1.388

Water Solubility, LogSw

-2.23

Polar Surface Area

55.830

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.63

S831-1928 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S831-1928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S831-1928?
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What is the minimum amount of S831-1928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S831-1928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S831-1928
  • 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 S831-1928 available by request