S836-3933 Screening compound: (3S,4S)-N~3~-cyclopropyl-4-(hydroxymethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrole-3-carboxamide

S836-3933 Screening compound: (3S,4S)-N~3~-cyclopropyl-4-(hydroxymethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrole-3-carboxamide
S836-3933 Screening compound: (3S,4S)-N~3~-cyclopropyl-4-(hydroxymethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-3933
(3S,4S)-N~3~-cyclopropyl-4-(hydroxymethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrole-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

S836-3933

Molecular Formula

C14H22N4O2 (C14 H22 N4 O2)

Compound Name

(3S,4S)-N~3~-cyclopropyl-4-(hydroxymethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrole-3-carboxamide

IUPAC name

(3S4S)-N-cyclopropyl-4-(hydroxymethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide

SMILES

Cn1ncc(CN(C[C@@H]2CO)C[C@@H]2C(NC2CC2)=O)c1

InChI

InChI=1S/C14H22N4O2/c1-17-5-10(4-15-17)6-18-7-11(9-19)13(8-18)14(20)16-12-2-3-12/h4-5,11-13,19H,2-3,6-9H2,1H3,(H,16,20)/t11-,13+/m1/s1

InChI Key

ZULTVOHOQSKYHI-YPMHNXCESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.885

Distribution Coefficient, logD

-7.774

Water Solubility, LogSw

-1.19

Polar Surface Area

60.598

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

13.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

71.43

S836-3933 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 S836-3933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-3933?
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What is the minimum amount of S836-3933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-3933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-3933
  • 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 S836-3933 available by request