C274-8117 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide

C274-8117 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
C274-8117 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-8117
N-(2H-1,3-benzodioxol-5-yl)-1-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]piperidine-3-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

C274-8117

Molecular Formula

C18H20N4O7S (C18 H20 N4 O7 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-1-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-1-[(6-methyl-24-dioxo-1234-tetrahydropyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide

SMILES

CC(NC(NC1=O)=O)=C1S(N(CCC1)CC1C(Nc(cc1)cc2c1OCO2)=O)(=O)=O

InChI

InChI=1S/C18H20N4O7S/c1-10-15(17(24)21-18(25)19-10)30(26,27)22-6-2-3-11(8-22)16(23)20-12-4-5-13-14(7-12)29-9-28-13/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,20,23)(H2,19,21,24,25)/t11-/m0/s1

InChI Key

YANOKHOKQSVSEQ-NSHDSACASA-N

MDL Number (MFCD)

MFCD14740480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.45

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.073

Distribution Coefficient, logD

-2.841

Water Solubility, LogSw

-2.44

Polar Surface Area

120.624

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

C274-8117 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Mimetics
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C274-8117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-8117?
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What is the minimum amount of C274-8117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-8117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-8117
  • 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 C274-8117 available by request