D451-1544 Screening compound: 3-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]-3-(propan-2-yl)-1-[2-(trifluoromethyl)phenyl]urea

D451-1544 Screening compound: 3-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]-3-(propan-2-yl)-1-[2-(trifluoromethyl)phenyl]urea
D451-1544 Screening compound: 3-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]-3-(propan-2-yl)-1-[2-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D451-1544
3-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]-3-(propan-2-yl)-1-[2-(trifluoromethyl)phenyl]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

D451-1544

Molecular Formula

C21H20F3N3O2 (C21 H20 F3 N3 O2)

Compound Name

3-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]-3-(propan-2-yl)-1-[2-(trifluoromethyl)phenyl]urea

IUPAC name

3-[(2-oxo-12-dihydroquinolin-4-yl)methyl]-3-(propan-2-yl)-1-[2-(trifluoromethyl)phenyl]urea

SMILES

CC(C)N(CC(c(cccc1)c1N1)=CC1=O)C(Nc1c(C(F)(F)F)cccc1)=O

InChI

InChI=1S/C21H20F3N3O2/c1-13(2)27(12-14-11-19(28)25-17-9-5-3-7-15(14)17)20(29)26-18-10-6-4-8-16(18)21(22,23)24/h3-11,13H,12H2,1-2H3,(H,25,28)(H,26,29)

InChI Key

HOCAKGSAKMJFCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.522

Distribution Coefficient, logD

4.522

Water Solubility, LogSw

-4.35

Polar Surface Area

49.137

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D451-1544 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D451-1544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D451-1544?
Check Price and Availability of D451-1544, 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 D451-1544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D451-1544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D451-1544
  • 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 D451-1544 available by request