Y030-3812 Screening compound: 3,4,5-trimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide

Y030-3812 Screening compound: 3,4,5-trimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
Y030-3812 Screening compound: 3,4,5-trimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-3812
3,4,5-trimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide

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

Y030-3812

Molecular Formula

C21H22N4O6S (C21 H22 N4 O6 S)

Compound Name

3,4,5-trimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide

IUPAC name

345-trimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide

SMILES

Cc1ccnc(NS(c(cc2)ccc2NC(c(cc2OC)cc(OC)c2OC)=O)(=O)=O)n1

InChI

InChI=1S/C21H22N4O6S/c1-13-9-10-22-21(23-13)25-32(27,28)16-7-5-15(6-8-16)24-20(26)14-11-17(29-2)19(31-4)18(12-14)30-3/h5-12H,1-4H3,(H,24,26)(H,22,23,25)

InChI Key

JYZBFQJEGBCKPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00590308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.097

Distribution Coefficient, logD

1.485

Water Solubility, LogSw

-3.16

Polar Surface Area

106.901

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

Y030-3812 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y030-3812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-3812?
Check Price and Availability of Y030-3812, 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 Y030-3812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-3812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-3812
  • 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 Y030-3812 available by request