S348-1907 Screening compound: 2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]-N-(3-ethylphenyl)acetamide

S348-1907 Screening compound: 2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]-N-(3-ethylphenyl)acetamide
S348-1907 Screening compound: 2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]-N-(3-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S348-1907
2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]-N-(3-ethylphenyl)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

S348-1907

Molecular Formula

C25H26N4O3 (C25 H26 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc1cccc(NC(CN(c2c(C(N3c4cc(C)ccc4)=O)n(C)c(C)c2)C3=O)=O)c1

InChI

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

InChI Key

CVMJOEODSLIUHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29000223

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

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.899

Distribution Coefficient, logD

3.899

Water Solubility, LogSw

-3.81

Polar Surface Area

56.449

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

S348-1907 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 S348-1907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S348-1907?
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What is the minimum amount of S348-1907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S348-1907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S348-1907
  • 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 S348-1907 available by request