G517-0044 Screening compound: 6-({6-methylthieno[2,3-d]pyrimidin-4-yl}oxy)isoquinoline

G517-0044 Screening compound: 6-({6-methylthieno[2,3-d]pyrimidin-4-yl}oxy)isoquinoline
G517-0044 Screening compound: 6-({6-methylthieno[2,3-d]pyrimidin-4-yl}oxy)isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound G517-0044
6-({6-methylthieno[2,3-d]pyrimidin-4-yl}oxy)isoquinoline

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

G517-0044

Molecular Formula

C16H11N3OS (C16 H11 N3 OS)

Compound Name

6-({6-methylthieno[2,3-d]pyrimidin-4-yl}oxy)isoquinoline

IUPAC name

6-({6-methylthieno[23-d]pyrimidin-4-yl}oxy)isoquinoline

SMILES

Cc(sc1ncn2)cc1c2Oc1cc2ccncc2cc1

InChI

InChI=1S/C16H11N3OS/c1-10-6-14-15(18-9-19-16(14)21-10)20-13-3-2-12-8-17-5-4-11(12)7-13/h2-9H,1H3

InChI Key

SZLMLEHXBOIWQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15015177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.865

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-3.90

Polar Surface Area

37.905

Acid Dissociation Constant (pKa)

30.33

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

G517-0044 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Akt-Targeted Library (14764 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with G517-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G517-0044?
Check Price and Availability of G517-0044, 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 G517-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G517-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G517-0044
  • 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 G517-0044 available by request