S348-1625 Screening compound: 2-[5,6-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]-N-(3,4-dimethylphenyl)acetamide

S348-1625 Screening compound: 2-[5,6-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
S348-1625 Screening compound: 2-[5,6-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]-N-(3,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S348-1625
2-[5,6-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]-N-(3,4-dimethylphenyl)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

S348-1625

Molecular Formula

C25H26N4O3 (C25 H26 N4 O3)

Compound Name

2-[5,6-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]-N-(3,4-dimethylphenyl)acetamide

IUPAC name

2-[56-dimethyl-3-(4-methylphenyl)-24-dioxo-1H2H3H4H5H-pyrrolo[32-d]pyrimidin-1-yl]-N-(34-dimethylphenyl)acetamide

SMILES

Cc1cc(N(CC(Nc2cc(C)c(C)cc2)=O)C(N(c2ccc(C)cc2)C2=O)=O)c2n1C

InChI

InChI=1S/C25H26N4O3/c1-15-6-10-20(11-7-15)29-24(31)23-21(13-18(4)27(23)5)28(25(29)32)14-22(30)26-19-9-8-16(2)17(3)12-19/h6-13H,14H2,1-5H3,(H,26,30)

InChI Key

SJKLLYKGUACCIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29000094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

4.021

Water Solubility, LogSw

-3.99

Polar Surface Area

56.449

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

S348-1625 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 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 S348-1625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S348-1625?
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What is the minimum amount of S348-1625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S348-1625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S348-1625
  • 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 S348-1625 available by request