M788-4662 Screening compound: 4-(4-ethoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione

M788-4662 Screening compound: 4-(4-ethoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione
M788-4662 Screening compound: 4-(4-ethoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound M788-4662
4-(4-ethoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-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

M788-4662

Molecular Formula

C22H27N3O5 (C22 H27 N3 O5)

Compound Name

4-(4-ethoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione

IUPAC name

4-(4-ethoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H2H3H4H5H7H-furo[34-d]pyrimidine-25-dione

SMILES

CCOc1ccc(C(C(C(OC2)=O)=C2N2CC(N3CCC(C)CC3)=O)NC2=O)cc1

InChI

InChI=1S/C22H27N3O5/c1-3-29-16-6-4-15(5-7-16)20-19-17(13-30-21(19)27)25(22(28)23-20)12-18(26)24-10-8-14(2)9-11-24/h4-7,14,20H,3,8-13H2,1-2H3,(H,23,28)/t20-/m0/s1

InChI Key

QUMCELOXBGUKIM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD29002130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.927

Distribution Coefficient, logD

1.927

Water Solubility, LogSw

-2.50

Polar Surface Area

73.907

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

M788-4662 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M788-4662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M788-4662?
Check Price and Availability of M788-4662, 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 M788-4662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M788-4662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M788-4662
  • 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 M788-4662 available by request