S059-0122 Screening compound: 3-(2-methoxyphenyl)-1-{3-[(pyridin-3-yl)amino]pyrrolidin-1-yl}propan-1-one

S059-0122 Screening compound: 3-(2-methoxyphenyl)-1-{3-[(pyridin-3-yl)amino]pyrrolidin-1-yl}propan-1-one
S059-0122 Screening compound: 3-(2-methoxyphenyl)-1-{3-[(pyridin-3-yl)amino]pyrrolidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S059-0122
3-(2-methoxyphenyl)-1-{3-[(pyridin-3-yl)amino]pyrrolidin-1-yl}propan-1-one

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

S059-0122

Molecular Formula

C19H23N3O2 (C19 H23 N3 O2)

Compound Name

3-(2-methoxyphenyl)-1-{3-[(pyridin-3-yl)amino]pyrrolidin-1-yl}propan-1-one

IUPAC name

3-(2-methoxyphenyl)-1-{3-[(pyridin-3-yl)amino]pyrrolidin-1-yl}propan-1-one

SMILES

COc1c(CCC(N(CC2)CC2Nc2cnccc2)=O)cccc1

InChI

InChI=1S/C19H23N3O2/c1-24-18-7-3-2-5-15(18)8-9-19(23)22-12-10-17(14-22)21-16-6-4-11-20-13-16/h2-7,11,13,17,21H,8-10,12,14H2,1H3/t17-/m1/s1

InChI Key

GGKQOTGKGJNDDB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD29030783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.452

Distribution Coefficient, logD

2.303

Water Solubility, LogSw

-2.11

Polar Surface Area

43.575

Acid Dissociation Constant (pKa)

22.28

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

S059-0122 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S059-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S059-0122?
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What is the minimum amount of S059-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S059-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S059-0122
  • 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 S059-0122 available by request