C316-0007 Screening compound: ethyl 2-(benzylsulfanyl)-5-methyl-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C316-0007 Screening compound: ethyl 2-(benzylsulfanyl)-5-methyl-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C316-0007 Screening compound: ethyl 2-(benzylsulfanyl)-5-methyl-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C316-0007
ethyl 2-(benzylsulfanyl)-5-methyl-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

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

C316-0007

Molecular Formula

C20H20N4O2S2 (C20 H20 N4 O2 S2)

Compound Name

ethyl 2-(benzylsulfanyl)-5-methyl-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 2-(benzylsulfanyl)-5-methyl-7-(thiophen-2-yl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)Nc2nc(SCc3ccccc3)nn2C1c1cccs1)=O

InChI

InChI=1S/C20H20N4O2S2/c1-3-26-18(25)16-13(2)21-19-22-20(28-12-14-8-5-4-6-9-14)23-24(19)17(16)15-10-7-11-27-15/h4-11,17H,3,12H2,1-2H3,(H,21,22,23)/t17-/m0/s1

InChI Key

YYFVIMUHIHZUHA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD05717492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.241

Distribution Coefficient, logD

4.103

Water Solubility, LogSw

-4.10

Polar Surface Area

57.271

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C316-0007 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C316-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C316-0007?
Check Price and Availability of C316-0007, 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 C316-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C316-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C316-0007
  • 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 C316-0007 available by request