D451-1441 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-ethyl-3-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]urea

D451-1441 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-ethyl-3-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]urea
D451-1441 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-ethyl-3-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D451-1441
1-(3-chloro-4-fluorophenyl)-3-ethyl-3-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]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

D451-1441

Molecular Formula

C19H17ClFN3O2 (C19 H17 ClFN3 O2)

Compound Name

1-(3-chloro-4-fluorophenyl)-3-ethyl-3-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]urea

IUPAC name

1-(3-chloro-4-fluorophenyl)-3-ethyl-3-[(2-oxo-12-dihydroquinolin-4-yl)methyl]urea

SMILES

CCN(CC(c(cccc1)c1N1)=CC1=O)C(Nc(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C19H17ClFN3O2/c1-2-24(19(26)22-13-7-8-16(21)15(20)10-13)11-12-9-18(25)23-17-6-4-3-5-14(12)17/h3-10H,2,11H2,1H3,(H,22,26)(H,23,25)

InChI Key

CFCPLRXIJFNWPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.895

Distribution Coefficient, logD

3.895

Water Solubility, LogSw

-4.29

Polar Surface Area

49.816

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D451-1441 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 D451-1441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D451-1441?
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What is the minimum amount of D451-1441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D451-1441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D451-1441
  • 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 D451-1441 available by request