S066-0211 Screening compound: 2-PHENYL-1-(3-{[6-(1-PYRROLIDINYL)-4-PYRIMIDINYL]OXY}-1-PYRROLIDINYL)-1-ETHANONE

S066-0211 Screening compound: 2-PHENYL-1-(3-{[6-(1-PYRROLIDINYL)-4-PYRIMIDINYL]OXY}-1-PYRROLIDINYL)-1-ETHANONE
S066-0211 Screening compound: 2-PHENYL-1-(3-{[6-(1-PYRROLIDINYL)-4-PYRIMIDINYL]OXY}-1-PYRROLIDINYL)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S066-0211
2-PHENYL-1-(3-{[6-(1-PYRROLIDINYL)-4-PYRIMIDINYL]OXY}-1-PYRROLIDINYL)-1-ETHANONE

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

S066-0211

Molecular Formula

C20H24N4O2 (C20 H24 N4 O2)

Compound Name

2-PHENYL-1-(3-{[6-(1-PYRROLIDINYL)-4-PYRIMIDINYL]OXY}-1-PYRROLIDINYL)-1-ETHANONE

IUPAC name

n/a

SMILES

O=C(Cc1ccccc1)N(CC1)CC1Oc1ncnc(N2CCCC2)c1

InChI

InChI=1S/C20H24N4O2/c25-20(12-16-6-2-1-3-7-16)24-11-8-17(14-24)26-19-13-18(21-15-22-19)23-9-4-5-10-23/h1-3,6-7,13,15,17H,4-5,8-12,14H2/t17-/m1/s1

InChI Key

ZXWNJIAGOISLBT-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27617569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.069

Distribution Coefficient, logD

3.069

Water Solubility, LogSw

-3.20

Polar Surface Area

45.913

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

S066-0211 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S066-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S066-0211?
Check Price and Availability of S066-0211, 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 S066-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S066-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S066-0211
  • 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 S066-0211 available by request