Y031-0872 Screening compound: ethyl {[4-(cyclohexylsulfamoyl)phenyl]carbamoyl}formate

Y031-0872 Screening compound: ethyl {[4-(cyclohexylsulfamoyl)phenyl]carbamoyl}formate
Y031-0872 Screening compound: ethyl {[4-(cyclohexylsulfamoyl)phenyl]carbamoyl}formate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0872
ethyl {[4-(cyclohexylsulfamoyl)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

Y031-0872

Molecular Formula

C16H22N2O5S (C16 H22 N2 O5 S)

Compound Name

ethyl {[4-(cyclohexylsulfamoyl)phenyl]carbamoyl}formate

IUPAC name

ethyl {[4-(cyclohexylsulfamoyl)phenyl]carbamoyl}formate

SMILES

CCOC(C(Nc(cc1)ccc1S(NC1CCCCC1)(=O)=O)=O)=O

InChI

InChI=1S/C16H22N2O5S/c1-2-23-16(20)15(19)17-12-8-10-14(11-9-12)24(21,22)18-13-6-4-3-5-7-13/h8-11,13,18H,2-7H2,1H3,(H,17,19)

InChI Key

FMFGOPUKVYZIQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.887

Distribution Coefficient, logD

1.926

Water Solubility, LogSw

-3.41

Polar Surface Area

86.052

Acid Dissociation Constant (pKa)

6.49

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y031-0872 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y031-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0872?
Check Price and Availability of Y031-0872, 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 Y031-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0872
  • 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 Y031-0872 available by request