L409-0446 Screening compound: 3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-[1-(2,3-DIHYDRO-1H-INDOL-1-YL)-1-OXO-3-PHENYLPROPAN-2-YL]UREA

L409-0446 Screening compound: 3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-[1-(2,3-DIHYDRO-1H-INDOL-1-YL)-1-OXO-3-PHENYLPROPAN-2-YL]UREA
L409-0446 Screening compound: 3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-[1-(2,3-DIHYDRO-1H-INDOL-1-YL)-1-OXO-3-PHENYLPROPAN-2-YL]UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound L409-0446
3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-[1-(2,3-DIHYDRO-1H-INDOL-1-YL)-1-OXO-3-PHENYLPROPAN-2-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

L409-0446

Molecular Formula

C26H25N3O4 (C26 H25 N3 O4)

Compound Name

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

IUPAC name

n/a

SMILES

O=C(C(Cc1ccccc1)NC(Nc(cc1)cc2c1OCCO2)=O)N(CC1)c2c1cccc2

InChI

InChI=1S/C26H25N3O4/c30-25(29-13-12-19-8-4-5-9-22(19)29)21(16-18-6-2-1-3-7-18)28-26(31)27-20-10-11-23-24(17-20)33-15-14-32-23/h1-11,17,21H,12-16H2,(H2,27,28,31)/t21-/m0/s1

InChI Key

JBLRDEBDZFXOKS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15126480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.180

Distribution Coefficient, logD

3.180

Water Solubility, LogSw

-3.43

Polar Surface Area

64.996

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

L409-0446 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L409-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L409-0446?
Check Price and Availability of L409-0446, 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 L409-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L409-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L409-0446
  • 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 L409-0446 available by request