M560-0084 Screening compound: N-[(2,4-difluorophenyl)methyl]-1-[2-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

M560-0084 Screening compound: N-[(2,4-difluorophenyl)methyl]-1-[2-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
M560-0084 Screening compound: N-[(2,4-difluorophenyl)methyl]-1-[2-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M560-0084
N-[(2,4-difluorophenyl)methyl]-1-[2-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

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

M560-0084

Molecular Formula

C21H25F2N5O (C21 H25 F2 N5 O)

Compound Name

N-[(2,4-difluorophenyl)methyl]-1-[2-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

IUPAC name

N-[(24-difluorophenyl)methyl]-1-[2-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1cnc(N2CCCC2)nc1)NCc(ccc(F)c1)c1F

InChI

InChI=1S/C21H25F2N5O/c22-17-4-3-16(19(23)11-17)12-24-20(29)15-5-9-27(10-6-15)18-13-25-21(26-14-18)28-7-1-2-8-28/h3-4,11,13-15H,1-2,5-10,12H2,(H,24,29)

InChI Key

ADDHMKKQBNILEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.665

Distribution Coefficient, logD

2.663

Water Solubility, LogSw

-2.78

Polar Surface Area

50.464

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

M560-0084 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Immunological Library (6760 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with M560-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M560-0084?
Check Price and Availability of M560-0084, 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 M560-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M560-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M560-0084
  • 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 M560-0084 available by request