J035-0436 Screening compound: N~3~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

J035-0436 Screening compound: N~3~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
J035-0436 Screening compound: N~3~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J035-0436
N~3~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

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

J035-0436

Molecular Formula

C25H29N5O2 (C25 H29 N5 O2)

Compound Name

N~3~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

IUPAC name

n/a

SMILES

CC(C)(Cc(n1nc2)c3cnc1c2C(NCCCN(CC1)Cc2c1cccc2)=O)CC3=O

InChI

InChI=1S/C25H29N5O2/c1-25(2)12-21-19(22(31)13-25)14-27-23-20(15-28-30(21)23)24(32)26-9-5-10-29-11-8-17-6-3-4-7-18(17)16-29/h3-4,6-7,14-15H,5,8-13,16H2,1-2H3,(H,26,32)

InChI Key

HSNFZWBFYICZEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.080

Distribution Coefficient, logD

1.930

Water Solubility, LogSw

-3.36

Polar Surface Area

63.548

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

J035-0436 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with J035-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J035-0436?
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What is the minimum amount of J035-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J035-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J035-0436
  • 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 J035-0436 available by request