S348-2172 Screening compound: N-(4-acetylphenyl)-2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide

S348-2172 Screening compound: N-(4-acetylphenyl)-2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide
S348-2172 Screening compound: N-(4-acetylphenyl)-2-[3-(4-fluorophenyl)-5,6-dimethyl-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 S348-2172
N-(4-acetylphenyl)-2-[3-(4-fluorophenyl)-5,6-dimethyl-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

S348-2172

Molecular Formula

C24H21FN4O4 (C24 H21 FN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)ccc1NC(CN(c1c(C(N2c(cc3)ccc3F)=O)n(C)c(C)c1)C2=O)=O)=O

InChI

InChI=1S/C24H21FN4O4/c1-14-12-20-22(27(14)3)23(32)29(19-10-6-17(25)7-11-19)24(33)28(20)13-21(31)26-18-8-4-16(5-9-18)15(2)30/h4-12H,13H2,1-3H3,(H,26,31)

InChI Key

WSAGQSGKXJNHID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29000176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.182

Distribution Coefficient, logD

2.181

Water Solubility, LogSw

-2.93

Polar Surface Area

70.275

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

S348-2172 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S348-2172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S348-2172?
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What is the minimum amount of S348-2172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S348-2172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S348-2172
  • 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 S348-2172 available by request