CM4439-1607 Screening compound: 2-methyl-7-[(thiophen-2-yl)methyl]-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

CM4439-1607 Screening compound: 2-methyl-7-[(thiophen-2-yl)methyl]-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CM4439-1607 Screening compound: 2-methyl-7-[(thiophen-2-yl)methyl]-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4439-1607
2-methyl-7-[(thiophen-2-yl)methyl]-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

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

CM4439-1607

Molecular Formula

C11H14N4OS (C11 H14 N4 OS)

Compound Name

2-methyl-7-[(thiophen-2-yl)methyl]-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

IUPAC name

2-methyl-7-[(thiophen-2-yl)methyl]-2H3H5H6H7H8H-[124]triazolo[43-a]pyrazin-3-one

SMILES

CN1N=C(CN(Cc2cccs2)CC2)N2C1=O

InChI

InChI=1S/C11H14N4OS/c1-13-11(16)15-5-4-14(8-10(15)12-13)7-9-3-2-6-17-9/h2-3,6H,4-5,7-8H2,1H3

InChI Key

JOEXVHUAGXEQSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30465941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.084

Distribution Coefficient, logD

0.614

Water Solubility, LogSw

-1.87

Polar Surface Area

37.628

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

CM4439-1607 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with CM4439-1607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4439-1607?
Check Price and Availability of CM4439-1607, 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 CM4439-1607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4439-1607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4439-1607
  • 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 CM4439-1607 available by request