3300-0032 Screening compound: N-(2,6-dimethoxypyrimidin-4-yl)-4-{[(1Z)-3-(3-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzene-1-sulfonamide

3300-0032 Screening compound: N-(2,6-dimethoxypyrimidin-4-yl)-4-{[(1Z)-3-(3-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzene-1-sulfonamide
3300-0032 Screening compound: N-(2,6-dimethoxypyrimidin-4-yl)-4-{[(1Z)-3-(3-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3300-0032
N-(2,6-dimethoxypyrimidin-4-yl)-4-{[(1Z)-3-(3-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzene-1-sulfonamide

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

3300-0032

Molecular Formula

C22H22N4O6S (C22 H22 N4 O6 S)

Compound Name

N-(2,6-dimethoxypyrimidin-4-yl)-4-{[(1Z)-3-(3-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzene-1-sulfonamide

IUPAC name

N-(26-dimethoxypyrimidin-4-yl)-4-{[(1Z)-3-(3-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzene-1-sulfonamide

SMILES

COc1cccc(C(/C=C\Nc(cc2)ccc2S(Nc2nc(OC)nc(OC)c2)(=O)=O)=O)c1

InChI

InChI=1S/C22H22N4O6S/c1-30-17-6-4-5-15(13-17)19(27)11-12-23-16-7-9-18(10-8-16)33(28,29)26-20-14-21(31-2)25-22(24-20)32-3/h4-14,23H,1-3H3,(H,24,25,26)

InChI Key

WEYGJZOCMZNEDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02225962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.956

Distribution Coefficient, logD

-0.171

Water Solubility, LogSw

-3.72

Polar Surface Area

106.591

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

3300-0032 in Drug Discovery

Included in Screening Libraries

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 3300-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3300-0032?
Check Price and Availability of 3300-0032, 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 3300-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3300-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3300-0032
  • 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 3300-0032 available by request