D451-2354 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]-1-propylurea

D451-2354 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]-1-propylurea
D451-2354 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]-1-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D451-2354
3-(2H-1,3-benzodioxol-5-yl)-1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]-1-propylurea

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

D451-2354

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]-1-propylurea

IUPAC name

3-(2H-13-benzodioxol-5-yl)-1-[(68-dimethyl-2-oxo-12-dihydroquinolin-4-yl)methyl]-1-propylurea

SMILES

CCCN(CC(c(cc(C)cc1C)c1N1)=CC1=O)C(Nc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C23H25N3O4/c1-4-7-26(23(28)24-17-5-6-19-20(11-17)30-13-29-19)12-16-10-21(27)25-22-15(3)8-14(2)9-18(16)22/h5-6,8-11H,4,7,12-13H2,1-3H3,(H,24,28)(H,25,27)

InChI Key

HFQPAKPDJQMNFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.903

Distribution Coefficient, logD

3.903

Water Solubility, LogSw

-3.86

Polar Surface Area

64.933

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

D451-2354 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D451-2354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D451-2354?
Check Price and Availability of D451-2354, 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 D451-2354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D451-2354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D451-2354
  • 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 D451-2354 available by request