SC15-0413 Screening compound: 1-({1-[(3,4-difluorophenyl)sulfonyl]-4-piperidyl}methyl)-4-(methoxymethyl)-2-pyrrolidinone

SC15-0413 Screening compound: 1-({1-[(3,4-difluorophenyl)sulfonyl]-4-piperidyl}methyl)-4-(methoxymethyl)-2-pyrrolidinone
SC15-0413 Screening compound: 1-({1-[(3,4-difluorophenyl)sulfonyl]-4-piperidyl}methyl)-4-(methoxymethyl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC15-0413
1-({1-[(3,4-difluorophenyl)sulfonyl]-4-piperidyl}methyl)-4-(methoxymethyl)-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

SC15-0413

Molecular Formula

C18H24F2N2O4S (C18 H24 F2 N2 O4 S)

Compound Name

1-({1-[(3,4-difluorophenyl)sulfonyl]-4-piperidyl}methyl)-4-(methoxymethyl)-2-pyrrolidinone

IUPAC name

1-{[1-(34-difluorobenzenesulfonyl)piperidin-4-yl]methyl}-4-(methoxymethyl)pyrrolidin-2-one

SMILES

COCC(C1)CN(CC(CC2)CCN2S(c(cc2)cc(F)c2F)(=O)=O)C1=O

InChI

InChI=1S/C18H24F2N2O4S/c1-26-12-14-8-18(23)21(11-14)10-13-4-6-22(7-5-13)27(24,25)15-2-3-16(19)17(20)9-15/h2-3,9,13-14H,4-8,10-12H2,1H3/t14-/m1/s1

InChI Key

XZCLUNIIFXQHHY-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32257193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.542

Distribution Coefficient, logD

2.542

Water Solubility, LogSw

-2.84

Polar Surface Area

57.569

Acid Dissociation Constant (pKa)

17.54

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SC15-0413 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SC15-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC15-0413?
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What is the minimum amount of SC15-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC15-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC15-0413
  • 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 SC15-0413 available by request