A0062921 Screening compound: ethyl 2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

A0062921 Screening compound: ethyl 2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
A0062921 Screening compound: ethyl 2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062921
ethyl 2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]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

A0062921

Molecular Formula

C20H19N3O3S2 (C20 H19 N3 O3 S2)

Compound Name

ethyl 2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1c(C)c(C(N(CCc2ccccc2)C(SCC#N)=N2)=O)c2s1)=O

InChI

InChI=1S/C20H19N3O3S2/c1-3-26-19(25)16-13(2)15-17(28-16)22-20(27-12-10-21)23(18(15)24)11-9-14-7-5-4-6-8-14/h4-8H,3,9,11-12H2,1-2H3

InChI Key

VCDMUDYVJILQCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.651

Distribution Coefficient, logD

3.651

Water Solubility, LogSw

-3.94

Polar Surface Area

64.169

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

A0062921 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with A0062921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062921?
Check Price and Availability of A0062921, 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 A0062921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062921
  • 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 A0062921 available by request