V029-1256 Screening compound: ethyl 1-[(7-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)methyl]-4-piperidinecarboxylate

V029-1256 Screening compound: ethyl 1-[(7-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)methyl]-4-piperidinecarboxylate
V029-1256 Screening compound: ethyl 1-[(7-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)methyl]-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-1256
ethyl 1-[(7-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)methyl]-4-piperidinecarboxylate

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

V029-1256

Molecular Formula

C25H30N4O3S (C25 H30 N4 O3 S)

Compound Name

ethyl 1-[(7-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)methyl]-4-piperidinecarboxylate

IUPAC name

ethyl 1-({11-benzyl-3-oxo-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl}methyl)piperidine-4-carboxylate

SMILES

CCOC(C1CCN(CC(N2)=Nc(sc3c4CCN(Cc5ccccc5)C3)c4C2=O)CC1)=O

InChI

InChI=1S/C25H30N4O3S/c1-2-32-25(31)18-8-11-28(12-9-18)16-21-26-23(30)22-19-10-13-29(14-17-6-4-3-5-7-17)15-20(19)33-24(22)27-21/h3-7,18H,2,8-16H2,1H3,(H,26,27,30)

InChI Key

VWPTYEOCYGBSDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19870712

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.6

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

3.033

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-3.43

Polar Surface Area

62.955

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

V029-1256 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V029-1256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-1256?
Check Price and Availability of V029-1256, 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 V029-1256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-1256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-1256
  • 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 V029-1256 available by request