V025-0617 Screening compound: prop-2-en-1-yl 5-methyl-2-[(3-methylpiperazin-1-yl)methyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

V025-0617 Screening compound: prop-2-en-1-yl 5-methyl-2-[(3-methylpiperazin-1-yl)methyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
V025-0617 Screening compound: prop-2-en-1-yl 5-methyl-2-[(3-methylpiperazin-1-yl)methyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-0617
prop-2-en-1-yl 5-methyl-2-[(3-methylpiperazin-1-yl)methyl]-4-oxo-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

V025-0617

Molecular Formula

C17H22N4O3S (C17 H22 N4 O3 S)

Compound Name

prop-2-en-1-yl 5-methyl-2-[(3-methylpiperazin-1-yl)methyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

prop-2-en-1-yl 5-methyl-2-[(3-methylpiperazin-1-yl)methyl]-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CC1NCCN(CC(N2)=Nc(sc(C(OCC=C)=O)c3C)c3C2=O)C1

InChI

InChI=1S/C17H22N4O3S/c1-4-7-24-17(23)14-11(3)13-15(22)19-12(20-16(13)25-14)9-21-6-5-18-10(2)8-21/h4,10,18H,1,5-9H2,2-3H3,(H,19,20,22)/t10-/m0/s1

InChI Key

QSMJJHLJLDCXLA-JTQLQIEISA-N

MDL Number (MFCD)

MFCD19872971

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

362.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.654

Distribution Coefficient, logD

-0.779

Water Solubility, LogSw

-2.07

Polar Surface Area

71.399

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

8.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

V025-0617 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V025-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-0617?
Check Price and Availability of V025-0617, 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 V025-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-0617
  • 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 V025-0617 available by request