L090-0597 Screening compound: 1-(4-chlorophenyl)-6-methyl-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

L090-0597 Screening compound: 1-(4-chlorophenyl)-6-methyl-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
L090-0597 Screening compound: 1-(4-chlorophenyl)-6-methyl-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L090-0597
1-(4-chlorophenyl)-6-methyl-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-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

L090-0597

Molecular Formula

C22H18ClN5O2 (C22 H18 ClN5 O2)

Compound Name

1-(4-chlorophenyl)-6-methyl-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

IUPAC name

1-(4-chlorophenyl)-6-methyl-3-(1234-tetrahydroisoquinoline-2-carbonyl)-1H6H7H-pyrazolo[43-d]pyrimidin-7-one

SMILES

CN(C=Nc1c2n(-c(cc3)ccc3Cl)nc1C(N(CC1)Cc3c1cccc3)=O)C2=O

InChI

InChI=1S/C22H18ClN5O2/c1-26-13-24-18-19(21(29)27-11-10-14-4-2-3-5-15(14)12-27)25-28(20(18)22(26)30)17-8-6-16(23)7-9-17/h2-9,13H,10-12H2,1H3

InChI Key

ANXDNVXSKAZFFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27231793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.570

Distribution Coefficient, logD

2.570

Water Solubility, LogSw

-2.92

Polar Surface Area

54.636

Acid Dissociation Constant (pKa)

25.61

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

L090-0597 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L090-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L090-0597?
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What is the minimum amount of L090-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L090-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L090-0597
  • 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 L090-0597 available by request