M788-1039 Screening compound: 1-[2-oxo-2-(piperidin-1-yl)ethyl]-4-(thiophen-2-yl)-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione

M788-1039 Screening compound: 1-[2-oxo-2-(piperidin-1-yl)ethyl]-4-(thiophen-2-yl)-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione
M788-1039 Screening compound: 1-[2-oxo-2-(piperidin-1-yl)ethyl]-4-(thiophen-2-yl)-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound M788-1039
1-[2-oxo-2-(piperidin-1-yl)ethyl]-4-(thiophen-2-yl)-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

M788-1039

Molecular Formula

C17H19N3O4S (C17 H19 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C(CO1)=C(C(c2cccs2)N2)C1=O)C2=O)N1CCCCC1

InChI

InChI=1S/C17H19N3O4S/c21-13(19-6-2-1-3-7-19)9-20-11-10-24-16(22)14(11)15(18-17(20)23)12-5-4-8-25-12/h4-5,8,15H,1-3,6-7,9-10H2,(H,18,23)/t15-/m0/s1

InChI Key

LFHFFMNWSGHGIY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD28994457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.950

Distribution Coefficient, logD

0.950

Water Solubility, LogSw

-2.24

Polar Surface Area

67.802

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

M788-1039 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 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 M788-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M788-1039?
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What is the minimum amount of M788-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M788-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M788-1039
  • 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 M788-1039 available by request