S059-0063 Screening compound: (2,5-difluorophenyl)[3-(3-pyridylamino)-1-pyrrolidinyl]methanone

S059-0063 Screening compound: (2,5-difluorophenyl)[3-(3-pyridylamino)-1-pyrrolidinyl]methanone
S059-0063 Screening compound: (2,5-difluorophenyl)[3-(3-pyridylamino)-1-pyrrolidinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S059-0063
(2,5-difluorophenyl)[3-(3-pyridylamino)-1-pyrrolidinyl]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

S059-0063

Molecular Formula

C16H15F2N3O (C16 H15 F2 N3 O)

Compound Name

(2,5-difluorophenyl)[3-(3-pyridylamino)-1-pyrrolidinyl]methanone

IUPAC name

N-[1-(25-difluorobenzoyl)pyrrolidin-3-yl]pyridin-3-amine

SMILES

O=C(c(cc(cc1)F)c1F)N(CC1)CC1Nc1cnccc1

InChI

InChI=1S/C16H15F2N3O/c17-11-3-4-15(18)14(8-11)16(22)21-7-5-13(10-21)20-12-2-1-6-19-9-12/h1-4,6,8-9,13,20H,5,7,10H2

InChI Key

AFWZOQUNGRBTHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.320

Distribution Coefficient, logD

2.170

Water Solubility, LogSw

-2.60

Polar Surface Area

36.472

Acid Dissociation Constant (pKa)

22.15

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

S059-0063 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S059-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S059-0063?
Check Price and Availability of S059-0063, 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 S059-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S059-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S059-0063
  • 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 S059-0063 available by request