F406-0877 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

F406-0877 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydroquinazoline-2,4-dione
F406-0877 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F406-0877
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydroquinazoline-2,4-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

F406-0877

Molecular Formula

C26H20N4O7 (C26 H20 N4 O7)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-7-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]-1234-tetrahydroquinazoline-24-dione

SMILES

COc(ccc(-c1noc(-c(cc2)cc(NC(N3Cc(cc4)cc5c4OCO5)=O)c2C3=O)n1)c1)c1OC

InChI

InChI=1S/C26H20N4O7/c1-33-19-8-5-15(11-21(19)34-2)23-28-24(37-29-23)16-4-6-17-18(10-16)27-26(32)30(25(17)31)12-14-3-7-20-22(9-14)36-13-35-20/h3-11H,12-13H2,1-2H3,(H,27,32)

InChI Key

DFKYQFXVHXTLCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.599

Distribution Coefficient, logD

4.599

Water Solubility, LogSw

-4.38

Polar Surface Area

104.262

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

F406-0877 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F406-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F406-0877?
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What is the minimum amount of F406-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F406-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F406-0877
  • 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 F406-0877 available by request