J001-0927 Screening compound: 6-[3,4-dimethyl-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]-2,3-dihydropyridazin-3-one

J001-0927 Screening compound: 6-[3,4-dimethyl-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]-2,3-dihydropyridazin-3-one
J001-0927 Screening compound: 6-[3,4-dimethyl-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J001-0927
6-[3,4-dimethyl-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]-2,3-dihydropyridazin-3-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

J001-0927

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

6-[3,4-dimethyl-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]-2,3-dihydropyridazin-3-one

IUPAC name

6-[34-dimethyl-5-(1234-tetrahydroisoquinoline-2-sulfonyl)phenyl]-23-dihydropyridazin-3-one

SMILES

Cc1cc(C(C=C2)=NNC2=O)cc(S(N(CC2)Cc3c2cccc3)(=O)=O)c1C

InChI

InChI=1S/C21H21N3O3S/c1-14-11-18(19-7-8-21(25)23-22-19)12-20(15(14)2)28(26,27)24-10-9-16-5-3-4-6-17(16)13-24/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,25)

InChI Key

VBCBTLRTMQZCSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15077572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.099

Distribution Coefficient, logD

4.098

Water Solubility, LogSw

-4.14

Polar Surface Area

68.749

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

J001-0927 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J001-0927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J001-0927?
Check Price and Availability of J001-0927, 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 J001-0927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J001-0927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J001-0927
  • 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 J001-0927 available by request