V013-8709 Screening compound: ethyl 1-{[5-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}piperidine-4-carboxylate

V013-8709 Screening compound: ethyl 1-{[5-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}piperidine-4-carboxylate
V013-8709 Screening compound: ethyl 1-{[5-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-8709
ethyl 1-{[5-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}piperidine-4-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

V013-8709

Molecular Formula

C22H25N3O4S (C22 H25 N3 O4 S)

Compound Name

ethyl 1-{[5-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{[5-(4-methoxyphenyl)-4-oxo-3H4H-thieno[23-d]pyrimidin-2-yl]methyl}piperidine-4-carboxylate

SMILES

CCOC(C1CCN(CC(N2)=Nc(scc3-c(cc4)ccc4OC)c3C2=O)CC1)=O

InChI

InChI=1S/C22H25N3O4S/c1-3-29-22(27)15-8-10-25(11-9-15)12-18-23-20(26)19-17(13-30-21(19)24-18)14-4-6-16(28-2)7-5-14/h4-7,13,15H,3,8-12H2,1-2H3,(H,23,24,26)

InChI Key

ISUJRBRNSLOWAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19872915

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.153

Distribution Coefficient, logD

3.138

Water Solubility, LogSw

-3.44

Polar Surface Area

66.833

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

V013-8709 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 V013-8709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-8709?
Check Price and Availability of V013-8709, 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 V013-8709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-8709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-8709
  • 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 V013-8709 available by request