S348-2133 Screening compound: N-(3-chloro-4-fluorophenyl)-2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide

S348-2133 Screening compound: N-(3-chloro-4-fluorophenyl)-2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide
S348-2133 Screening compound: N-(3-chloro-4-fluorophenyl)-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 S348-2133
N-(3-chloro-4-fluorophenyl)-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

S348-2133

Molecular Formula

C22H17ClF2N4O3 (C22 H17 ClF2 N4 O3)

Compound Name

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

SMILES

Cc1cc(N(CC(Nc(cc2)cc(Cl)c2F)=O)C(N(c(cc2)ccc2F)C2=O)=O)c2n1C

InChI

InChI=1S/C22H17ClF2N4O3/c1-12-9-18-20(27(12)2)21(31)29(15-6-3-13(24)4-7-15)22(32)28(18)11-19(30)26-14-5-8-17(25)16(23)10-14/h3-10H,11H2,1-2H3,(H,26,30)

InChI Key

KJQOSEKLHFJABB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29000198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.85

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

3.370

Distribution Coefficient, logD

3.363

Water Solubility, LogSw

-3.58

Polar Surface Area

56.449

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

S348-2133 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Epigenetic
Targets:
  • Ion Channels
  • Others

References: we are preparing a list of scientific research reports with S348-2133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S348-2133?
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What is the minimum amount of S348-2133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S348-2133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S348-2133
  • 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 S348-2133 available by request