M788-4663 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[4-(4-ethoxyphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]acetamide

M788-4663 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[4-(4-ethoxyphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]acetamide
M788-4663 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[4-(4-ethoxyphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M788-4663
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[4-(4-ethoxyphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]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

M788-4663

Molecular Formula

C24H29N3O5 (C24 H29 N3 O5)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[4-(4-ethoxyphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[4-(4-ethoxyphenyl)-25-dioxo-1H2H3H4H5H7H-furo[34-d]pyrimidin-1-yl]acetamide

SMILES

CCOc1ccc(C(C(C(OC2)=O)=C2N2CC(NCCC3=CCCCC3)=O)NC2=O)cc1

InChI

InChI=1S/C24H29N3O5/c1-2-31-18-10-8-17(9-11-18)22-21-19(15-32-23(21)29)27(24(30)26-22)14-20(28)25-13-12-16-6-4-3-5-7-16/h6,8-11,22H,2-5,7,12-15H2,1H3,(H,25,28)(H,26,30)/t22-/m0/s1

InChI Key

PHMIZOZYTWXHDP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD29002131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.391

Distribution Coefficient, logD

2.391

Water Solubility, LogSw

-2.82

Polar Surface Area

82.020

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

M788-4663 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 M788-4663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M788-4663?
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What is the minimum amount of M788-4663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M788-4663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M788-4663
  • 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 M788-4663 available by request