S350-0027 Screening compound: 2-[4-(4-chlorophenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide

S350-0027 Screening compound: 2-[4-(4-chlorophenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
S350-0027 Screening compound: 2-[4-(4-chlorophenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S350-0027
2-[4-(4-chlorophenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]-N-(2,5-dimethoxyphenyl)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

S350-0027

Molecular Formula

C22H20ClN3O6 (C22 H20 ClN3 O6)

Compound Name

2-[4-(4-chlorophenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide

IUPAC name

2-[4-(4-chlorophenyl)-25-dioxo-1H2H3H4H5H7H-furo[34-d]pyrimidin-1-yl]-N-(25-dimethoxyphenyl)acetamide

SMILES

COc(cc1)cc(NC(CN(C(CO2)=C(C(c(cc3)ccc3Cl)N3)C2=O)C3=O)=O)c1OC

InChI

InChI=1S/C22H20ClN3O6/c1-30-14-7-8-17(31-2)15(9-14)24-18(27)10-26-16-11-32-21(28)19(16)20(25-22(26)29)12-3-5-13(23)6-4-12/h3-9,20H,10-11H2,1-2H3,(H,24,27)(H,25,29)/t20-/m1/s1

InChI Key

UMFMGNRGJUCDRT-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD29000829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.577

Distribution Coefficient, logD

2.574

Water Solubility, LogSw

-3.52

Polar Surface Area

88.017

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

S350-0027 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S350-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S350-0027?
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What is the minimum amount of S350-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S350-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S350-0027
  • 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 S350-0027 available by request