C211-0029 Screening compound: 6-methyl-2,4-dioxo-N-phenyl-N-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide

C211-0029 Screening compound: 6-methyl-2,4-dioxo-N-phenyl-N-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
C211-0029 Screening compound: 6-methyl-2,4-dioxo-N-phenyl-N-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C211-0029
6-methyl-2,4-dioxo-N-phenyl-N-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide

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

C211-0029

Molecular Formula

C14H15N3O4S (C14 H15 N3 O4 S)

Compound Name

6-methyl-2,4-dioxo-N-phenyl-N-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide

IUPAC name

n/a

SMILES

CC(NC(NC1=O)=O)=C1S(N(CC=C)c1ccccc1)(=O)=O

InChI

InChI=1S/C14H15N3O4S/c1-3-9-17(11-7-5-4-6-8-11)22(20,21)12-10(2)15-14(19)16-13(12)18/h3-8H,1,9H2,2H3,(H2,15,16,18,19)

InChI Key

WFVVGVAQLBXYKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.879

Distribution Coefficient, logD

-1.590

Water Solubility, LogSw

-2.35

Polar Surface Area

80.576

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

C211-0029 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • 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 C211-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C211-0029?
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What is the minimum amount of C211-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C211-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C211-0029
  • 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 C211-0029 available by request