4606-1945 Screening compound: ethyl ({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)formate

4606-1945 Screening compound: ethyl ({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)formate
4606-1945 Screening compound: ethyl ({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)formate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4606-1945
ethyl ({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)formate

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

4606-1945

Molecular Formula

C14H14N4O5S (C14 H14 N4 O5 S)

Compound Name

ethyl ({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)formate

IUPAC name

ethyl ({4-[(pyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)formate

SMILES

CCOC(C(Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O)=O)=O

InChI

InChI=1S/C14H14N4O5S/c1-2-23-13(20)12(19)17-10-4-6-11(7-5-10)24(21,22)18-14-15-8-3-9-16-14/h3-9H,2H2,1H3,(H,17,19)(H,15,16,18)

InChI Key

MCPALBPXILGKOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03119561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.36

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.496

Distribution Coefficient, logD

-0.259

Water Solubility, LogSw

-2.78

Polar Surface Area

105.574

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4606-1945 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4606-1945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4606-1945?
Check Price and Availability of 4606-1945, 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 4606-1945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4606-1945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4606-1945
  • 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 4606-1945 available by request