V015-0713 Screening compound: 2-{[ethyl(2-hydroxy-3-phenylpropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

V015-0713 Screening compound: 2-{[ethyl(2-hydroxy-3-phenylpropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
V015-0713 Screening compound: 2-{[ethyl(2-hydroxy-3-phenylpropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-0713
2-{[ethyl(2-hydroxy-3-phenylpropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[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

V015-0713

Molecular Formula

C22H27N3O2S (C22 H27 N3 O2 S)

Compound Name

2-{[ethyl(2-hydroxy-3-phenylpropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

5-{[ethyl(2-hydroxy-3-phenylpropyl)amino]methyl}-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CCN(CC(Cc1ccccc1)O)CC(N1)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C22H27N3O2S/c1-2-25(13-16(26)12-15-8-4-3-5-9-15)14-19-23-21(27)20-17-10-6-7-11-18(17)28-22(20)24-19/h3-5,8-9,16,26H,2,6-7,10-14H2,1H3,(H,23,24,27)/t16-/m0/s1

InChI Key

NANVBNLEISVFRA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19871322

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

397.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.580

Distribution Coefficient, logD

3.579

Water Solubility, LogSw

-3.94

Polar Surface Area

55.051

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

V015-0713 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 V015-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-0713?
Check Price and Availability of V015-0713, 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 V015-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-0713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-0713
  • 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 V015-0713 available by request