C066-4045 Screening compound: 1-(2-fluorophenyl)-1-methyl-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea

C066-4045 Screening compound: 1-(2-fluorophenyl)-1-methyl-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea
C066-4045 Screening compound: 1-(2-fluorophenyl)-1-methyl-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4045
1-(2-fluorophenyl)-1-methyl-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-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

C066-4045

Molecular Formula

C18H16FN3O2 (C18 H16 FN3 O2)

Compound Name

1-(2-fluorophenyl)-1-methyl-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea

IUPAC name

1-(2-fluorophenyl)-1-methyl-3-(2-methyl-1-oxo-12-dihydroisoquinolin-4-yl)urea

SMILES

CN(C(NC(c1c2cccc1)=CN(C)C2=O)=O)c(cccc1)c1F

InChI

InChI=1S/C18H16FN3O2/c1-21-11-15(12-7-3-4-8-13(12)17(21)23)20-18(24)22(2)16-10-6-5-9-14(16)19/h3-11H,1-2H3,(H,20,24)

InChI Key

UFPDJTMOEQCLGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.258

Distribution Coefficient, logD

1.924

Water Solubility, LogSw

-3.06

Polar Surface Area

41.039

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C066-4045 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C066-4045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4045?
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What is the minimum amount of C066-4045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4045
  • 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 C066-4045 available by request