V031-1414 Screening compound: 2-{[benzyl(methyl)amino]methyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one

V031-1414 Screening compound: 2-{[benzyl(methyl)amino]methyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
V031-1414 Screening compound: 2-{[benzyl(methyl)amino]methyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1414
2-{[benzyl(methyl)amino]methyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-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

V031-1414

Molecular Formula

C21H19N3OS (C21 H19 N3 OS)

Compound Name

2-{[benzyl(methyl)amino]methyl}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

2-{[benzyl(methyl)amino]methyl}-5-phenyl-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

CN(Cc1ccccc1)CC(N1)=Nc(scc2-c3ccccc3)c2C1=O

InChI

InChI=1S/C21H19N3OS/c1-24(12-15-8-4-2-5-9-15)13-18-22-20(25)19-17(14-26-21(19)23-18)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,22,23,25)

InChI Key

HXARLSVIKYHEHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04614384

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.799

Distribution Coefficient, logD

3.797

Water Solubility, LogSw

-4.27

Polar Surface Area

38.647

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

V031-1414 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V031-1414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1414?
Check Price and Availability of V031-1414, 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 V031-1414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1414
  • 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 V031-1414 available by request