S350-0029 Screening compound: 4-(4-chlorophenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione

S350-0029 Screening compound: 4-(4-chlorophenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione
S350-0029 Screening compound: 4-(4-chlorophenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S350-0029
4-(4-chlorophenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione

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

S350-0029

Molecular Formula

C24H23ClN4O4 (C24 H23 ClN4 O4)

Compound Name

4-(4-chlorophenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione

IUPAC name

4-(4-chlorophenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H2H3H4H5H7H-furo[34-d]pyrimidine-25-dione

SMILES

O=C(CN(C(CO1)=C(C(c(cc2)ccc2Cl)N2)C1=O)C2=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C24H23ClN4O4/c25-17-8-6-16(7-9-17)22-21-19(15-33-23(21)31)29(24(32)26-22)14-20(30)28-12-10-27(11-13-28)18-4-2-1-3-5-18/h1-9,22H,10-15H2,(H,26,32)/t22-/m1/s1

InChI Key

DAIWXFQUQRCFBM-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD29000248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.457

Distribution Coefficient, logD

2.455

Water Solubility, LogSw

-3.47

Polar Surface Area

70.044

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

S350-0029 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with S350-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S350-0029?
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What is the minimum amount of S350-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S350-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S350-0029
  • 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 S350-0029 available by request