M788-4107 Screening compound: 2-[4-(2,5-dimethylphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide

M788-4107 Screening compound: 2-[4-(2,5-dimethylphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
M788-4107 Screening compound: 2-[4-(2,5-dimethylphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M788-4107
2-[4-(2,5-dimethylphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidin-1-yl]-N-(2-phenylethyl)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

M788-4107

Molecular Formula

C24H25N3O4 (C24 H25 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C(C(C(OC2)=O)=C2N2CC(NCCc3ccccc3)=O)NC2=O)c(C)cc1

InChI

InChI=1S/C24H25N3O4/c1-15-8-9-16(2)18(12-15)22-21-19(14-31-23(21)29)27(24(30)26-22)13-20(28)25-11-10-17-6-4-3-5-7-17/h3-9,12,22H,10-11,13-14H2,1-2H3,(H,25,28)(H,26,30)/t22-/m0/s1

InChI Key

SWXGZRMRAJTITJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27554261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.697

Distribution Coefficient, logD

2.692

Water Solubility, LogSw

-2.91

Polar Surface Area

74.704

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

M788-4107 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M788-4107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M788-4107?
Check Price and Availability of M788-4107, 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 M788-4107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M788-4107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M788-4107
  • 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 M788-4107 available by request