V016-3669 Screening compound: 2-({cyclohexyl[3-(2-furylmethoxy)-2-hydroxypropyl]amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

V016-3669 Screening compound: 2-({cyclohexyl[3-(2-furylmethoxy)-2-hydroxypropyl]amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
V016-3669 Screening compound: 2-({cyclohexyl[3-(2-furylmethoxy)-2-hydroxypropyl]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 V016-3669
2-({cyclohexyl[3-(2-furylmethoxy)-2-hydroxypropyl]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

V016-3669

Molecular Formula

C25H33N3O4S (C25 H33 N3 O4 S)

Compound Name

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

IUPAC name

5-{[cyclohexyl({3-[(furan-2-yl)methoxy]-2-hydroxypropyl})amino]methyl}-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

OC(CN(CC(N1)=Nc(sc2c3CCCC2)c3C1=O)C1CCCCC1)COCc1ccco1

InChI

InChI=1S/C25H33N3O4S/c29-18(15-31-16-19-9-6-12-32-19)13-28(17-7-2-1-3-8-17)14-22-26-24(30)23-20-10-4-5-11-21(20)33-25(23)27-22/h6,9,12,17-18,29H,1-5,7-8,10-11,13-16H2,(H,26,27,30)/t18-/m0/s1

InChI Key

KVXCCEHIJZNOSQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19870915

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

471.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.988

Distribution Coefficient, logD

3.986

Water Solubility, LogSw

-4.23

Polar Surface Area

70.374

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

V016-3669 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anticancer Library (62698 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V016-3669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-3669?
Check Price and Availability of V016-3669, 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 V016-3669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-3669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-3669
  • 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 V016-3669 available by request