5921-0230 Screening compound: ethyl 2-[(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetate

5921-0230 Screening compound: ethyl 2-[(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetate
5921-0230 Screening compound: ethyl 2-[(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5921-0230
ethyl 2-[(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetate

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

5921-0230

Molecular Formula

C19H21N3O2S2 (C19 H21 N3 O2 S2)

Compound Name

ethyl 2-[(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetate

IUPAC name

ethyl 2-({8-ethyl-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-yl}sulfanyl)acetate

SMILES

CCc1c(CCCC2)c2c(c2ncnc(SCC(OCC)=O)c2s2)c2n1

InChI

InChI=1S/C19H21N3O2S2/c1-3-13-11-7-5-6-8-12(11)15-16-17(26-18(15)22-13)19(21-10-20-16)25-9-14(23)24-4-2/h10H,3-9H2,1-2H3

InChI Key

IKFKJTDWZCNYLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01960501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.020

Distribution Coefficient, logD

5.020

Water Solubility, LogSw

-4.69

Polar Surface Area

51.731

Acid Dissociation Constant (pKa)

19.38

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

5921-0230 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5921-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5921-0230?
Check Price and Availability of 5921-0230, 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 5921-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5921-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5921-0230
  • 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 5921-0230 available by request