C274-7971 Screening compound: N-(4-bromo-3-methylphenyl)-1-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide

C274-7971 Screening compound: N-(4-bromo-3-methylphenyl)-1-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
C274-7971 Screening compound: N-(4-bromo-3-methylphenyl)-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 C274-7971
N-(4-bromo-3-methylphenyl)-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

C274-7971

Molecular Formula

C18H21BrN4O5S (C18 H21 BrN4 O5 S)

Compound Name

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

IUPAC name

N-(4-bromo-3-methylphenyl)-1-[(6-methyl-24-dioxo-1234-tetrahydropyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide

SMILES

Cc(cc(cc1)NC(C(CCC2)CN2S(C(C(N2)=O)=C(C)NC2=O)(=O)=O)=O)c1Br

InChI

InChI=1S/C18H21BrN4O5S/c1-10-8-13(5-6-14(10)19)21-16(24)12-4-3-7-23(9-12)29(27,28)15-11(2)20-18(26)22-17(15)25/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,21,24)(H2,20,22,25,26)/t12-/m0/s1

InChI Key

MXHCKHLLWPGJRS-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14740459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.36

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.268

Distribution Coefficient, logD

-1.499

Water Solubility, LogSw

-2.46

Polar Surface Area

103.508

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

C274-7971 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C274-7971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-7971?
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What is the minimum amount of C274-7971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-7971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-7971
  • 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 C274-7971 available by request