S350-0518 Screening compound: 1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-methylphenyl)-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione

S350-0518 Screening compound: 1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-methylphenyl)-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione
S350-0518 Screening compound: 1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-methylphenyl)-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S350-0518
1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-methylphenyl)-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

S350-0518

Molecular Formula

C25H25FN4O4 (C25 H25 FN4 O4)

Compound Name

1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-methylphenyl)-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione

IUPAC name

1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-methylphenyl)-1H2H3H4H5H7H-furo[34-d]pyrimidine-25-dione

SMILES

Cc1ccc(C(C(C(OC2)=O)=C2N2CC(N(CC3)CCN3c(cc3)ccc3F)=O)NC2=O)cc1

InChI

InChI=1S/C25H25FN4O4/c1-16-2-4-17(5-3-16)23-22-20(15-34-24(22)32)30(25(33)27-23)14-21(31)29-12-10-28(11-13-29)19-8-6-18(26)7-9-19/h2-9,23H,10-15H2,1H3,(H,27,33)/t23-/m0/s1

InChI Key

CKBAIWNNLKVBRZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD29004319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.5

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

2.437

Distribution Coefficient, logD

2.436

Water Solubility, LogSw

-2.87

Polar Surface Area

70.044

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

S350-0518 in Drug Discovery

Included in Screening Libraries

Inhibitors of beta-Catenin Signaling (7445 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S350-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S350-0518?
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What is the minimum amount of S350-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S350-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S350-0518
  • 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 S350-0518 available by request