S348-2068 Screening compound: 2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

S348-2068 Screening compound: 2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
S348-2068 Screening compound: 2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S348-2068
2-[3-(4-fluorophenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]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

S348-2068

Molecular Formula

C23H18F4N4O3 (C23 H18 F4 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(N(CC(Nc2c(C(F)(F)F)cccc2)=O)C(N(c(cc2)ccc2F)C2=O)=O)c2n1C

InChI

InChI=1S/C23H18F4N4O3/c1-13-11-18-20(29(13)2)21(33)31(15-9-7-14(24)8-10-15)22(34)30(18)12-19(32)28-17-6-4-3-5-16(17)23(25,26)27/h3-11H,12H2,1-2H3,(H,28,32)

InChI Key

QMUDMYRSBIWFEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29000165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.41

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

3.155

Distribution Coefficient, logD

3.155

Water Solubility, LogSw

-3.53

Polar Surface Area

55.751

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

S348-2068 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S348-2068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S348-2068?
Check Price and Availability of S348-2068, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S348-2068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S348-2068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S348-2068
  • 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 S348-2068 available by request