4606-1801 Screening compound: 3,4,5-triethoxy-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}benzamide

4606-1801 Screening compound: 3,4,5-triethoxy-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}benzamide
4606-1801 Screening compound: 3,4,5-triethoxy-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4606-1801
3,4,5-triethoxy-N-{4-[(pyrimidin-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

4606-1801

Molecular Formula

C23H26N4O6S (C23 H26 N4 O6 S)

Compound Name

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

IUPAC name

345-triethoxy-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}benzamide

SMILES

CCOc1cc(C(Nc(cc2)ccc2S(Nc2ncccn2)(=O)=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C23H26N4O6S/c1-4-31-19-14-16(15-20(32-5-2)21(19)33-6-3)22(28)26-17-8-10-18(11-9-17)34(29,30)27-23-24-12-7-13-25-23/h7-15H,4-6H2,1-3H3,(H,26,28)(H,24,25,27)

InChI Key

KAOFCGRSYOXEAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02967621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

1.710

Water Solubility, LogSw

-3.14

Polar Surface Area

106.266

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 4606-1801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4606-1801?
Check Price and Availability of 4606-1801, 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 4606-1801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4606-1801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4606-1801
  • 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 4606-1801 available by request