SC15-0101 Screening compound: N-(2,5-difluorophenyl)-4-({2-oxo-4-[(2-pyrazinyloxy)methyl]-1-pyrrolidinyl}methyl)tetrahydro-1(2H)-pyridinecarboxamide

SC15-0101 Screening compound: N-(2,5-difluorophenyl)-4-({2-oxo-4-[(2-pyrazinyloxy)methyl]-1-pyrrolidinyl}methyl)tetrahydro-1(2H)-pyridinecarboxamide
SC15-0101 Screening compound: N-(2,5-difluorophenyl)-4-({2-oxo-4-[(2-pyrazinyloxy)methyl]-1-pyrrolidinyl}methyl)tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC15-0101
N-(2,5-difluorophenyl)-4-({2-oxo-4-[(2-pyrazinyloxy)methyl]-1-pyrrolidinyl}methyl)tetrahydro-1(2H)-pyridinecarboxamide

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

SC15-0101

Molecular Formula

C22H25F2N5O3 (C22 H25 F2 N5 O3)

Compound Name

N-(2,5-difluorophenyl)-4-({2-oxo-4-[(2-pyrazinyloxy)methyl]-1-pyrrolidinyl}methyl)tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-(25-difluorophenyl)-4-({2-oxo-4-[(pyrazin-2-yloxy)methyl]pyrrolidin-1-yl}methyl)piperidine-1-carboxamide

SMILES

O=C(Nc(cc(cc1)F)c1F)N1CCC(CN(CC(COc2nccnc2)C2)C2=O)CC1

InChI

InChI=1S/C22H25F2N5O3/c23-17-1-2-18(24)19(10-17)27-22(31)28-7-3-15(4-8-28)12-29-13-16(9-21(29)30)14-32-20-11-25-5-6-26-20/h1-2,5-6,10-11,15-16H,3-4,7-9,12-14H2,(H,27,31)/t16-/m1/s1

InChI Key

DUXMTBONDKJCKU-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32256223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.014

Distribution Coefficient, logD

3.014

Water Solubility, LogSw

-3.13

Polar Surface Area

67.899

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

SC15-0101 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SC15-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC15-0101?
Check Price and Availability of SC15-0101, 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 SC15-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC15-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC15-0101
  • 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 SC15-0101 available by request