S059-0085 Screening compound: N-[1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]pyridin-3-amine

S059-0085 Screening compound: N-[1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]pyridin-3-amine
S059-0085 Screening compound: N-[1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S059-0085
N-[1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]pyridin-3-amine

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

S059-0085

Molecular Formula

C18H21N3O2 (C18 H21 N3 O2)

Compound Name

N-[1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]pyridin-3-amine

IUPAC name

N-[1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]pyridin-3-amine

SMILES

Cc(cc(cc1)OC)c1C(N(CC1)CC1Nc1cnccc1)=O

InChI

InChI=1S/C18H21N3O2/c1-13-10-16(23-2)5-6-17(13)18(22)21-9-7-15(12-21)20-14-4-3-8-19-11-14/h3-6,8,10-11,15,20H,7,9,12H2,1-2H3/t15-/m1/s1

InChI Key

BXLAXYGYPAWDEK-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29031175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.417

Distribution Coefficient, logD

2.267

Water Solubility, LogSw

-2.45

Polar Surface Area

44.015

Acid Dissociation Constant (pKa)

22.15

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

S059-0085 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S059-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S059-0085?
Check Price and Availability of S059-0085, 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 S059-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S059-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S059-0085
  • 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 S059-0085 available by request