S348-1391 Screening compound: N-(2,4-dimethoxyphenyl)-2-{5,6-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl}acetamide

S348-1391 Screening compound: N-(2,4-dimethoxyphenyl)-2-{5,6-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl}acetamide
S348-1391 Screening compound: N-(2,4-dimethoxyphenyl)-2-{5,6-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S348-1391
N-(2,4-dimethoxyphenyl)-2-{5,6-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl}acetamide

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

S348-1391

Molecular Formula

C24H24N4O5 (C24 H24 N4 O5)

Compound Name

N-(2,4-dimethoxyphenyl)-2-{5,6-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl}acetamide

IUPAC name

N-(24-dimethoxyphenyl)-2-{56-dimethyl-24-dioxo-3-phenyl-1H2H3H4H5H-pyrrolo[32-d]pyrimidin-1-yl}acetamide

SMILES

Cc1cc(N(CC(Nc(ccc(OC)c2)c2OC)=O)C(N(c2ccccc2)C2=O)=O)c2n1C

InChI

InChI=1S/C24H24N4O5/c1-15-12-19-22(26(15)2)23(30)28(16-8-6-5-7-9-16)24(31)27(19)14-21(29)25-18-11-10-17(32-3)13-20(18)33-4/h5-13H,14H2,1-4H3,(H,25,29)

InChI Key

ZRBVTXWPSUJSJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29000127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.234

Distribution Coefficient, logD

2.234

Water Solubility, LogSw

-2.99

Polar Surface Area

70.925

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

S348-1391 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Ligand-Gated Ion Channels Library (3887 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Eye
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S348-1391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S348-1391?
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What is the minimum amount of S348-1391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S348-1391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S348-1391
  • 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 S348-1391 available by request