0590-0563 Screening compound: 3-[1-(adamantane-1-carbonyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-1,2-dihydroquinolin-2-one

0590-0563 Screening compound: 3-[1-(adamantane-1-carbonyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-1,2-dihydroquinolin-2-one
0590-0563 Screening compound: 3-[1-(adamantane-1-carbonyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0590-0563
3-[1-(adamantane-1-carbonyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-1,2-dihydroquinolin-2-one

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

0590-0563

Molecular Formula

C36H34BrN3O3 (C36 H34 BrN3 O3)

Compound Name

3-[1-(adamantane-1-carbonyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-1,2-dihydroquinolin-2-one

IUPAC name

3-[1-(adamantane-1-carbonyl)-5-(2-methoxyphenyl)-45-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-12-dihydroquinolin-2-one

SMILES

COc1c(C(C2)N(C(C3(CC(C4)C5)CC5CC4C3)=O)N=C2C2=C(c3ccccc3)c(cc(cc3)Br)c3NC2=O)cccc1

InChI

InChI=1S/C36H34BrN3O3/c1-43-31-10-6-5-9-26(31)30-17-29(39-40(30)35(42)36-18-21-13-22(19-36)15-23(14-21)20-36)33-32(24-7-3-2-4-8-24)27-16-25(37)11-12-28(27)38-34(33)41/h2-12,16,21-23,30H,13-15,17-20H2,1H3,(H,38,41)/t21?,22?,23?,30-,36?/m1/s1

InChI Key

DEOZPUAMHPGHTG-JBKZFBNGSA-N

MDL Number (MFCD)

MFCD01838288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

636.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.846

Distribution Coefficient, logD

8.808

Water Solubility, LogSw

-5.82

Polar Surface Area

59.384

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.10

0590-0563 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0590-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0590-0563?
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What is the minimum amount of 0590-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0590-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0590-0563
  • 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 0590-0563 available by request