5205-0070 Screening compound: 4-(benzylsulfanyl)-2,7,9-trimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine

5205-0070 Screening compound: 4-(benzylsulfanyl)-2,7,9-trimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine
5205-0070 Screening compound: 4-(benzylsulfanyl)-2,7,9-trimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5205-0070
4-(benzylsulfanyl)-2,7,9-trimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine

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

5205-0070

Molecular Formula

C19H17N3S2 (C19 H17 N3 S2)

Compound Name

4-(benzylsulfanyl)-2,7,9-trimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine

IUPAC name

6-(benzylsulfanyl)-41113-trimethyl-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaene

SMILES

Cc1c(c2nc(C)nc(SCc3ccccc3)c2s2)c2nc(C)c1

InChI

InChI=1S/C19H17N3S2/c1-11-9-12(2)20-18-15(11)16-17(24-18)19(22-13(3)21-16)23-10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3

InChI Key

PKNNCDGLZOSLJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01465848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.981

Distribution Coefficient, logD

4.977

Water Solubility, LogSw

-4.94

Polar Surface Area

28.295

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

5205-0070 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 5205-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5205-0070?
Check Price and Availability of 5205-0070, 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 5205-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5205-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5205-0070
  • 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 5205-0070 available by request