S836-9132 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide

S836-9132 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
S836-9132 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-9132
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-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

S836-9132

Molecular Formula

C13H21N3O5S (C13 H21 N3 O5 S)

Compound Name

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide

IUPAC name

(3S4S)-1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-4-(hydroxymethyl)-NN-dimethylpyrrolidine-3-carboxamide

SMILES

Cc1noc(C)c1S(N(C[C@@H]1CO)C[C@@H]1C(N(C)C)=O)(=O)=O

InChI

InChI=1S/C13H21N3O5S/c1-8-12(9(2)21-14-8)22(19,20)16-5-10(7-17)11(6-16)13(18)15(3)4/h10-11,17H,5-7H2,1-4H3/t10-,11+/m0/s1

InChI Key

GGOLUESNMONCNU-WDEREUQCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.294

Distribution Coefficient, logD

-1.294

Water Solubility, LogSw

-1.71

Polar Surface Area

87.336

Acid Dissociation Constant (pKa)

16.13

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

69.23

S836-9132 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S836-9132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-9132?
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What is the minimum amount of S836-9132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-9132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-9132
  • 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 S836-9132 available by request