3931-1418 Screening compound: butyl N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}carbamate

3931-1418 Screening compound: butyl N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}carbamate
3931-1418 Screening compound: butyl N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3931-1418
butyl N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}carbamate

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

3931-1418

Molecular Formula

C17H22N4O4S (C17 H22 N4 O4 S)

Compound Name

butyl N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}carbamate

IUPAC name

butyl N-{4-[(26-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}carbamate

SMILES

CCCCOC(Nc(cc1)ccc1S(Nc1nc(C)nc(C)c1)(=O)=O)=O

InChI

InChI=1S/C17H22N4O4S/c1-4-5-10-25-17(22)20-14-6-8-15(9-7-14)26(23,24)21-16-11-12(2)18-13(3)19-16/h6-9,11H,4-5,10H2,1-3H3,(H,20,22)(H,18,19,21)

InChI Key

REPZSEUIGAYDBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02358164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.894

Distribution Coefficient, logD

2.024

Water Solubility, LogSw

-3.42

Polar Surface Area

91.184

Acid Dissociation Constant (pKa)

6.59

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

3931-1418 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3931-1418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3931-1418?
Check Price and Availability of 3931-1418, 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 3931-1418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3931-1418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3931-1418
  • 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 3931-1418 available by request