S823-1983 Screening compound: N-[1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide

S823-1983 Screening compound: N-[1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
S823-1983 Screening compound: N-[1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-1983
N-[1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide

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

S823-1983

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

N-[1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide

IUPAC name

N-[(3S4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-3-methyl-12-oxazole-5-carboxamide

SMILES

Cc1noc(C(N[C@@H]2[C@@H](CO)CN(Cc3ccccc3)C2)=O)c1

InChI

InChI=1S/C17H21N3O3/c1-12-7-16(23-19-12)17(22)18-15-10-20(9-14(15)11-21)8-13-5-3-2-4-6-13/h2-7,14-15,21H,8-11H2,1H3,(H,18,22)/t14-,15+/m1/s1

InChI Key

LEDAYMCZTBCKFM-CABCVRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.992

Distribution Coefficient, logD

-0.685

Water Solubility, LogSw

-2.00

Polar Surface Area

67.269

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

9.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.18

S823-1983 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S823-1983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-1983?
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What is the minimum amount of S823-1983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-1983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-1983
  • 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 S823-1983 available by request