S348-1791 Screening compound: N-(3-cyanophenyl)-2-[5,6-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide

S348-1791 Screening compound: N-(3-cyanophenyl)-2-[5,6-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide
S348-1791 Screening compound: N-(3-cyanophenyl)-2-[5,6-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S348-1791
N-(3-cyanophenyl)-2-[5,6-dimethyl-3-(4-methylphenyl)-2,4-dioxo-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

S348-1791

Molecular Formula

C24H21N5O3 (C24 H21 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(N(CC(Nc2cc(C#N)ccc2)=O)C(N(c2ccc(C)cc2)C2=O)=O)c2n1C

InChI

InChI=1S/C24H21N5O3/c1-15-7-9-19(10-8-15)29-23(31)22-20(11-16(2)27(22)3)28(24(29)32)14-21(30)26-18-6-4-5-17(12-18)13-25/h4-12H,14H2,1-3H3,(H,26,30)

InChI Key

FYASLGAOINJRSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.895

Distribution Coefficient, logD

2.895

Water Solubility, LogSw

-3.30

Polar Surface Area

73.505

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

S348-1791 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 S348-1791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S348-1791?
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What is the minimum amount of S348-1791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S348-1791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S348-1791
  • 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 S348-1791 available by request