D451-1508 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]-1-propylurea

D451-1508 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]-1-propylurea
D451-1508 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-1-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]-1-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D451-1508
3-(2H-1,3-benzodioxol-5-yl)-1-[(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

D451-1508

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CC(c(cccc1)c1N1)=CC1=O)C(Nc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C21H21N3O4/c1-2-9-24(12-14-10-20(25)23-17-6-4-3-5-16(14)17)21(26)22-15-7-8-18-19(11-15)28-13-27-18/h3-8,10-11H,2,9,12-13H2,1H3,(H,22,26)(H,23,25)

InChI Key

ILIYVIOYTQUAKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

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

3.436

Distribution Coefficient, logD

3.436

Water Solubility, LogSw

-3.78

Polar Surface Area

67.185

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D451-1508 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D451-1508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D451-1508?
Check Price and Availability of D451-1508, 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 D451-1508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D451-1508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D451-1508
  • 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 D451-1508 available by request