S350-0044 Screening compound: ethyl 2-{2-[4-(4-chlorophenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]acetamido}benzoate

S350-0044 Screening compound: ethyl 2-{2-[4-(4-chlorophenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]acetamido}benzoate
S350-0044 Screening compound: ethyl 2-{2-[4-(4-chlorophenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S350-0044
ethyl 2-{2-[4-(4-chlorophenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]acetamido}benzoate

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

S350-0044

Molecular Formula

C23H20ClN3O6 (C23 H20 ClN3 O6)

Compound Name

ethyl 2-{2-[4-(4-chlorophenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]acetamido}benzoate

IUPAC name

ethyl 2-{2-[4-(4-chlorophenyl)-25-dioxo-1H2H3H4H5H7H-furo[34-d]pyrimidin-1-yl]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(C(CO1)=C(C(c(cc2)ccc2Cl)N2)C1=O)C2=O)=O)=O

InChI

InChI=1S/C23H20ClN3O6/c1-2-32-21(29)15-5-3-4-6-16(15)25-18(28)11-27-17-12-33-22(30)19(17)20(26-23(27)31)13-7-9-14(24)10-8-13/h3-10,20H,2,11-12H2,1H3,(H,25,28)(H,26,31)/t20-/m1/s1

InChI Key

LMYWSZURDOSDGW-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD29000252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.88

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.162

Distribution Coefficient, logD

3.147

Water Solubility, LogSw

-3.94

Polar Surface Area

93.596

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

S350-0044 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 S350-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S350-0044?
Check Price and Availability of S350-0044, 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 S350-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S350-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S350-0044
  • 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 S350-0044 available by request