0485-0388 Screening compound: N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3-nitrobenzamide

0485-0388 Screening compound: N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3-nitrobenzamide
0485-0388 Screening compound: N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0485-0388
N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3-nitrobenzamide

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

0485-0388

Molecular Formula

C19H17N5O7S (C19 H17 N5 O7 S)

Compound Name

N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3-nitrobenzamide

IUPAC name

N-{4-[(26-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-3-nitrobenzamide

SMILES

COc1cc(NS(c(cc2)ccc2NC(c2cc([N+]([O-])=O)ccc2)=O)(=O)=O)nc(OC)n1

InChI

InChI=1S/C19H17N5O7S/c1-30-17-11-16(21-19(22-17)31-2)23-32(28,29)15-8-6-13(7-9-15)20-18(25)12-4-3-5-14(10-12)24(26)27/h3-11H,1-2H3,(H,20,25)(H,21,22,23)

InChI Key

DYKGEWLZIRJLGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00580042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.44

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.954

Distribution Coefficient, logD

-0.174

Water Solubility, LogSw

-3.74

Polar Surface Area

131.288

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 0485-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0485-0388?
Check Price and Availability of 0485-0388, 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 0485-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0485-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0485-0388
  • 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 0485-0388 available by request