Y031-1204 Screening compound: 3,3-dimethyl-1-[(4-sulfamoylphenyl)methyl]urea

Y031-1204 Screening compound: 3,3-dimethyl-1-[(4-sulfamoylphenyl)methyl]urea
Y031-1204 Screening compound: 3,3-dimethyl-1-[(4-sulfamoylphenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1204
3,3-dimethyl-1-[(4-sulfamoylphenyl)methyl]urea

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

Y031-1204

Molecular Formula

C10H15N3O3S (C10 H15 N3 O3 S)

Compound Name

3,3-dimethyl-1-[(4-sulfamoylphenyl)methyl]urea

IUPAC name

33-dimethyl-1-[(4-sulfamoylphenyl)methyl]urea

SMILES

CN(C)C(NCc(cc1)ccc1S(N)(=O)=O)=O

InChI

InChI=1S/C10H15N3O3S/c1-13(2)10(14)12-7-8-3-5-9(6-4-8)17(11,15)16/h3-6H,7H2,1-2H3,(H,12,14)(H2,11,15,16)

InChI Key

XRRFZAOHJPDHBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06154346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.581

Distribution Coefficient, logD

-0.581

Water Solubility, LogSw

-1.96

Polar Surface Area

76.985

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

Y031-1204 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-1204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1204?
Check Price and Availability of Y031-1204, 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 Y031-1204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1204
  • 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 Y031-1204 available by request