V016-3710 Screening compound: 2-{[[3-(benzyloxy)-2-hydroxypropyl](isopentyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

V016-3710 Screening compound: 2-{[[3-(benzyloxy)-2-hydroxypropyl](isopentyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
V016-3710 Screening compound: 2-{[[3-(benzyloxy)-2-hydroxypropyl](isopentyl)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 V016-3710
2-{[[3-(benzyloxy)-2-hydroxypropyl](isopentyl)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

V016-3710

Molecular Formula

C26H35N3O3S (C26 H35 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCN(CC(COCc1ccccc1)O)CC(N1)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C26H35N3O3S/c1-18(2)12-13-29(14-20(30)17-32-16-19-8-4-3-5-9-19)15-23-27-25(31)24-21-10-6-7-11-22(21)33-26(24)28-23/h3-5,8-9,18,20,30H,6-7,10-17H2,1-2H3,(H,27,28,31)/t20-/m0/s1

InChI Key

BYMQNXVFOLRQKR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19871127

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

469.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.566

Distribution Coefficient, logD

4.565

Water Solubility, LogSw

-4.40

Polar Surface Area

63.739

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

V016-3710 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V016-3710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-3710?
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What is the minimum amount of V016-3710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-3710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-3710
  • 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 V016-3710 available by request