S059-0111 Screening compound: 2-cyclopentyl-1-{3-[(pyridin-3-yl)amino]pyrrolidin-1-yl}ethan-1-one

S059-0111 Screening compound: 2-cyclopentyl-1-{3-[(pyridin-3-yl)amino]pyrrolidin-1-yl}ethan-1-one
S059-0111 Screening compound: 2-cyclopentyl-1-{3-[(pyridin-3-yl)amino]pyrrolidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S059-0111
2-cyclopentyl-1-{3-[(pyridin-3-yl)amino]pyrrolidin-1-yl}ethan-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

S059-0111

Molecular Formula

C16H23N3O (C16 H23 N3 O)

Compound Name

2-cyclopentyl-1-{3-[(pyridin-3-yl)amino]pyrrolidin-1-yl}ethan-1-one

IUPAC name

2-cyclopentyl-1-{3-[(pyridin-3-yl)amino]pyrrolidin-1-yl}ethan-1-one

SMILES

O=C(CC1CCCC1)N(CC1)CC1Nc1cnccc1

InChI

InChI=1S/C16H23N3O/c20-16(10-13-4-1-2-5-13)19-9-7-15(12-19)18-14-6-3-8-17-11-14/h3,6,8,11,13,15,18H,1-2,4-5,7,9-10,12H2/t15-/m1/s1

InChI Key

DYVQHWOYPKNMCN-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD30462307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.224

Distribution Coefficient, logD

2.074

Water Solubility, LogSw

-2.14

Polar Surface Area

36.502

Acid Dissociation Constant (pKa)

22.28

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S059-0111 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with S059-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S059-0111?
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What is the minimum amount of S059-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S059-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S059-0111
  • 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 S059-0111 available by request