2908-0070 Screening compound: 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide

2908-0070 Screening compound: 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide
2908-0070 Screening compound: 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2908-0070
4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(3-methoxypyrazin-2-yl)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

2908-0070

Molecular Formula

C22H22N4O6S (C22 H22 N4 O6 S)

Compound Name

4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide

IUPAC name

4-{[(1E)-3-(34-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide

SMILES

COc(ccc(C(/C=C/Nc(cc1)ccc1S(Nc1nccnc1OC)(=O)=O)=O)c1)c1OC

InChI

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

InChI Key

NSRQBLDTVZEREK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01853349

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

2.308

Distribution Coefficient, logD

0.807

Water Solubility, LogSw

-3.04

Polar Surface Area

107.418

Acid Dissociation Constant (pKa)

5.91

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

2908-0070 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2908-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2908-0070?
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What is the minimum amount of 2908-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2908-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2908-0070
  • 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 2908-0070 available by request