5645-0085 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-[(6-methoxy-4-methyl-2-quinazolinyl)sulfanyl]-1-ethanone

5645-0085 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-[(6-methoxy-4-methyl-2-quinazolinyl)sulfanyl]-1-ethanone
5645-0085 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-[(6-methoxy-4-methyl-2-quinazolinyl)sulfanyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5645-0085
1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-[(6-methoxy-4-methyl-2-quinazolinyl)sulfanyl]-1-ethanone

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

5645-0085

Molecular Formula

C21H21N3O2S (C21 H21 N3 O2 S)

Compound Name

1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-[(6-methoxy-4-methyl-2-quinazolinyl)sulfanyl]-1-ethanone

IUPAC name

n/a

SMILES

Cc(c1c2)nc(SCC(N(CC3)Cc4c3cccc4)=O)nc1ccc2OC

InChI

InChI=1S/C21H21N3O2S/c1-14-18-11-17(26-2)7-8-19(18)23-21(22-14)27-13-20(25)24-10-9-15-5-3-4-6-16(15)12-24/h3-8,11H,9-10,12-13H2,1-2H3

InChI Key

FZAKEQUYWPZCRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.118

Distribution Coefficient, logD

4.118

Water Solubility, LogSw

-4.29

Polar Surface Area

41.150

Acid Dissociation Constant (pKa)

17.06

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

5645-0085 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 5645-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5645-0085?
Check Price and Availability of 5645-0085, 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 5645-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5645-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5645-0085
  • 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 5645-0085 available by request