3300-0111 Screening compound: N-(2,6-dimethoxypyrimidin-4-yl)-4-{[(1Z)-3-(4-ethylphenyl)-3-oxoprop-1-en-1-yl]amino}benzene-1-sulfonamide

3300-0111 Screening compound: N-(2,6-dimethoxypyrimidin-4-yl)-4-{[(1Z)-3-(4-ethylphenyl)-3-oxoprop-1-en-1-yl]amino}benzene-1-sulfonamide
3300-0111 Screening compound: N-(2,6-dimethoxypyrimidin-4-yl)-4-{[(1Z)-3-(4-ethylphenyl)-3-oxoprop-1-en-1-yl]amino}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3300-0111
N-(2,6-dimethoxypyrimidin-4-yl)-4-{[(1Z)-3-(4-ethylphenyl)-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

3300-0111

Molecular Formula

C23H24N4O5S (C23 H24 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1C(/C=C\Nc(cc1)ccc1S(Nc1nc(OC)nc(OC)c1)(=O)=O)=O

InChI

InChI=1S/C23H24N4O5S/c1-4-16-5-7-17(8-6-16)20(28)13-14-24-18-9-11-19(12-10-18)33(29,30)27-21-15-22(31-2)26-23(25-21)32-3/h5-15,24H,4H2,1-3H3,(H,25,26,27)

InChI Key

LYFJWHOFXUKKHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.751

Distribution Coefficient, logD

0.623

Water Solubility, LogSw

-4.08

Polar Surface Area

99.047

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 3300-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3300-0111?
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What is the minimum amount of 3300-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3300-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3300-0111
  • 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 3300-0111 available by request