V016-9960 Screening compound: 2-{[[3-(benzyloxy)-2-hydroxypropyl](isobutyl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

V016-9960 Screening compound: 2-{[[3-(benzyloxy)-2-hydroxypropyl](isobutyl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
V016-9960 Screening compound: 2-{[[3-(benzyloxy)-2-hydroxypropyl](isobutyl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9960
2-{[[3-(benzyloxy)-2-hydroxypropyl](isobutyl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-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

V016-9960

Molecular Formula

C24H31N3O3S (C24 H31 N3 O3 S)

Compound Name

2-{[[3-(benzyloxy)-2-hydroxypropyl](isobutyl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

10-({[3-(benzyloxy)-2-hydroxypropyl](2-methylpropyl)amino}methyl)-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)9-trien-12-one

SMILES

CC(C)CN(CC(COCc1ccccc1)O)CC(N1)=Nc(sc2c3CCC2)c3C1=O

InChI

InChI=1S/C24H31N3O3S/c1-16(2)11-27(12-18(28)15-30-14-17-7-4-3-5-8-17)13-21-25-23(29)22-19-9-6-10-20(19)31-24(22)26-21/h3-5,7-8,16,18,28H,6,9-15H2,1-2H3,(H,25,26,29)/t18-/m0/s1

InChI Key

JEYCDCIAHSJGFB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19871142

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

441.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.763

Distribution Coefficient, logD

3.762

Water Solubility, LogSw

-4.32

Polar Surface Area

64.126

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V016-9960 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V016-9960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9960?
Check Price and Availability of V016-9960, 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 V016-9960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9960
  • 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 V016-9960 available by request