F129-0478 Screening compound: 3-[4-(BENZYLAMINO)-2-OXO-2H-CHROMEN-3-YL]-1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)UREA

F129-0478 Screening compound: 3-[4-(BENZYLAMINO)-2-OXO-2H-CHROMEN-3-YL]-1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)UREA
F129-0478 Screening compound: 3-[4-(BENZYLAMINO)-2-OXO-2H-CHROMEN-3-YL]-1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound F129-0478
3-[4-(BENZYLAMINO)-2-OXO-2H-CHROMEN-3-YL]-1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)UREA

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

F129-0478

Molecular Formula

C25H21N3O5 (C25 H21 N3 O5)

Compound Name

3-[4-(BENZYLAMINO)-2-OXO-2H-CHROMEN-3-YL]-1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)UREA

IUPAC name

3-[4-(benzylamino)-2-oxo-2H-chromen-3-yl]-1-(23-dihydro-14-benzodioxin-6-yl)urea

SMILES

O=C(Nc(cc1)cc2c1OCCO2)NC(C(Oc1c2cccc1)=O)=C2NCc1ccccc1

InChI

InChI=1S/C25H21N3O5/c29-24-23(28-25(30)27-17-10-11-20-21(14-17)32-13-12-31-20)22(18-8-4-5-9-19(18)33-24)26-15-16-6-2-1-3-7-16/h1-11,14,26H,12-13,15H2,(H2,27,28,30)

InChI Key

ZGXXIHDJVRSBLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27103723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.887

Distribution Coefficient, logD

2.412

Water Solubility, LogSw

-3.62

Polar Surface Area

79.919

Acid Dissociation Constant (pKa)

7.10

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

F129-0478 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F129-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F129-0478?
Check Price and Availability of F129-0478, 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 F129-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F129-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F129-0478
  • 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 F129-0478 available by request