S512-0858 Screening compound: [3-(cyclopropylmethoxy)-1-pyrrolidinyl](1-ethyl-1H-pyrazol-5-yl)methanone

S512-0858 Screening compound: [3-(cyclopropylmethoxy)-1-pyrrolidinyl](1-ethyl-1H-pyrazol-5-yl)methanone
S512-0858 Screening compound: [3-(cyclopropylmethoxy)-1-pyrrolidinyl](1-ethyl-1H-pyrazol-5-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S512-0858
[3-(cyclopropylmethoxy)-1-pyrrolidinyl](1-ethyl-1H-pyrazol-5-yl)methanone

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

S512-0858

Molecular Formula

C14H21N3O2 (C14 H21 N3 O2)

Compound Name

[3-(cyclopropylmethoxy)-1-pyrrolidinyl](1-ethyl-1H-pyrazol-5-yl)methanone

IUPAC name

5-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-ethyl-1H-pyrazole

SMILES

CCn1nccc1C(N(CC1)CC1OCC1CC1)=O

InChI

InChI=1S/C14H21N3O2/c1-2-17-13(5-7-15-17)14(18)16-8-6-12(9-16)19-10-11-3-4-11/h5,7,11-12H,2-4,6,8-10H2,1H3/t12-/m1/s1

InChI Key

GZIFHNDCYRDCGL-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD29014514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.998

Distribution Coefficient, logD

0.998

Water Solubility, LogSw

-1.76

Polar Surface Area

37.540

Acid Dissociation Constant (pKa)

25.92

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

S512-0858 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S512-0858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S512-0858?
Check Price and Availability of S512-0858, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S512-0858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S512-0858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S512-0858
  • 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 S512-0858 available by request