S824-1980 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one

S824-1980 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one
S824-1980 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S824-1980
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-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

S824-1980

Molecular Formula

C18H23N3O3 (C18 H23 N3 O3)

Compound Name

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

IUPAC name

2-(35-dimethyl-12-oxazol-4-yl)-1-[(3S4R)-3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one

SMILES

Cc1noc(C)c1CC(N(C[C@@H]1COC)C[C@@H]1c1ccncc1)=O

InChI

InChI=1S/C18H23N3O3/c1-12-16(13(2)24-20-12)8-18(22)21-9-15(11-23-3)17(10-21)14-4-6-19-7-5-14/h4-7,15,17H,8-11H2,1-3H3/t15-,17-/m0/s1

InChI Key

YCLDMGHSZBESLE-RDJZCZTQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.422

Distribution Coefficient, logD

1.315

Water Solubility, LogSw

-1.93

Polar Surface Area

56.211

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S824-1980 in Drug Discovery

Included in Screening Libraries

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 S824-1980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S824-1980?
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What is the minimum amount of S824-1980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S824-1980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S824-1980
  • 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 S824-1980 available by request