E214-0068 Screening compound: 6-methyl-N-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide

E214-0068 Screening compound: 6-methyl-N-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
E214-0068 Screening compound: 6-methyl-N-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E214-0068
6-methyl-N-(3-nitrophenyl)-2,4-dioxo-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

E214-0068

Molecular Formula

C11H10N4O6S (C11 H10 N4 O6 S)

Compound Name

6-methyl-N-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide

IUPAC name

6-methyl-N-(3-nitrophenyl)-24-dioxo-1234-tetrahydropyrimidine-5-sulfonamide

SMILES

CC(NC(NC1=O)=O)=C1S(Nc1cc([N+]([O-])=O)ccc1)(=O)=O

InChI

InChI=1S/C11H10N4O6S/c1-6-9(10(16)13-11(17)12-6)22(20,21)14-7-3-2-4-8(5-7)15(18)19/h2-5,14H,1H3,(H2,12,13,16,17)

InChI Key

CKBXSKNUGJBECF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00409900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.29

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.588

Distribution Coefficient, logD

-3.168

Water Solubility, LogSw

-2.48

Polar Surface Area

122.804

Acid Dissociation Constant (pKa)

3.64

Base Dissociation Constant (pKb)

-7.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

E214-0068 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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 E214-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E214-0068?
Check Price and Availability of E214-0068, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E214-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E214-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E214-0068
  • 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 E214-0068 available by request