S348-2117 Screening compound: N-(2-ethoxyphenyl)-2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide

S348-2117 Screening compound: N-(2-ethoxyphenyl)-2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide
S348-2117 Screening compound: N-(2-ethoxyphenyl)-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 S348-2117
N-(2-ethoxyphenyl)-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

S348-2117

Molecular Formula

C24H23FN4O4 (C24 H23 FN4 O4)

Compound Name

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

SMILES

CCOc(cccc1)c1NC(CN(c1c(C(N2c(cc3)ccc3F)=O)n(C)c(C)c1)C2=O)=O

InChI

InChI=1S/C24H23FN4O4/c1-4-33-20-8-6-5-7-18(20)26-21(30)14-28-19-13-15(2)27(3)22(19)23(31)29(24(28)32)17-11-9-16(25)10-12-17/h5-13H,4,14H2,1-3H3,(H,26,30)

InChI Key

OOEXCWOLFZZXLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.814

Distribution Coefficient, logD

2.814

Water Solubility, LogSw

-3.24

Polar Surface Area

62.961

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

S348-2117 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 S348-2117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S348-2117?
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What is the minimum amount of S348-2117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S348-2117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S348-2117
  • 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 S348-2117 available by request