SC15-0272 Screening compound: 1-{[1-(5-chloro-2-fluorobenzoyl)-4-piperidyl]methyl}-4-[(2-pyrimidinyloxy)methyl]-2-pyrrolidinone

SC15-0272 Screening compound: 1-{[1-(5-chloro-2-fluorobenzoyl)-4-piperidyl]methyl}-4-[(2-pyrimidinyloxy)methyl]-2-pyrrolidinone
SC15-0272 Screening compound: 1-{[1-(5-chloro-2-fluorobenzoyl)-4-piperidyl]methyl}-4-[(2-pyrimidinyloxy)methyl]-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC15-0272
1-{[1-(5-chloro-2-fluorobenzoyl)-4-piperidyl]methyl}-4-[(2-pyrimidinyloxy)methyl]-2-pyrrolidinone

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

SC15-0272

Molecular Formula

C22H24ClFN4O3 (C22 H24 ClFN4 O3)

Compound Name

1-{[1-(5-chloro-2-fluorobenzoyl)-4-piperidyl]methyl}-4-[(2-pyrimidinyloxy)methyl]-2-pyrrolidinone

IUPAC name

1-{[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]methyl}-4-[(pyrimidin-2-yloxy)methyl]pyrrolidin-2-one

SMILES

O=C(c(cc(cc1)Cl)c1F)N1CCC(CN(CC(COc2ncccn2)C2)C2=O)CC1

InChI

InChI=1S/C22H24ClFN4O3/c23-17-2-3-19(24)18(11-17)21(30)27-8-4-15(5-9-27)12-28-13-16(10-20(28)29)14-31-22-25-6-1-7-26-22/h1-3,6-7,11,15-16H,4-5,8-10,12-14H2/t16-/m1/s1

InChI Key

YCEFIRASPSAEDO-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32255753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.631

Distribution Coefficient, logD

2.631

Water Solubility, LogSw

-3.45

Polar Surface Area

60.546

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

SC15-0272 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC15-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC15-0272?
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What is the minimum amount of SC15-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC15-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC15-0272
  • 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 SC15-0272 available by request