V017-9032 Screening compound: 2-{[[3-(benzyloxy)-2-hydroxypropyl](3-methoxypropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

V017-9032 Screening compound: 2-{[[3-(benzyloxy)-2-hydroxypropyl](3-methoxypropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
V017-9032 Screening compound: 2-{[[3-(benzyloxy)-2-hydroxypropyl](3-methoxypropyl)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 V017-9032
2-{[[3-(benzyloxy)-2-hydroxypropyl](3-methoxypropyl)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

V017-9032

Molecular Formula

C25H33N3O4S (C25 H33 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COCCCN(CC(COCc1ccccc1)O)CC(N1)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C25H33N3O4S/c1-31-13-7-12-28(14-19(29)17-32-16-18-8-3-2-4-9-18)15-22-26-24(30)23-20-10-5-6-11-21(20)33-25(23)27-22/h2-4,8-9,19,29H,5-7,10-17H2,1H3,(H,26,27,30)/t19-/m0/s1

InChI Key

GJPJZEXCFUROTJ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19870863

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

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.162

Distribution Coefficient, logD

3.162

Water Solubility, LogSw

-3.48

Polar Surface Area

72.081

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

V017-9032 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V017-9032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9032?
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What is the minimum amount of V017-9032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9032
  • 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 V017-9032 available by request