V016-8581 Screening compound: 2-{[(2-furylmethyl)(2-hydroxy-3-phenoxypropyl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

V016-8581 Screening compound: 2-{[(2-furylmethyl)(2-hydroxy-3-phenoxypropyl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
V016-8581 Screening compound: 2-{[(2-furylmethyl)(2-hydroxy-3-phenoxypropyl)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 V016-8581
2-{[(2-furylmethyl)(2-hydroxy-3-phenoxypropyl)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

V016-8581

Molecular Formula

C24H25N3O4S (C24 H25 N3 O4 S)

Compound Name

2-{[(2-furylmethyl)(2-hydroxy-3-phenoxypropyl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

10-({[(furan-2-yl)methyl](2-hydroxy-3-phenoxypropyl)amino}methyl)-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)9-trien-12-one

SMILES

OC(CN(Cc1ccco1)CC(N1)=Nc(sc2c3CCC2)c3C1=O)COc1ccccc1

InChI

InChI=1S/C24H25N3O4S/c28-16(15-31-17-6-2-1-3-7-17)12-27(13-18-8-5-11-30-18)14-21-25-23(29)22-19-9-4-10-20(19)32-24(22)26-21/h1-3,5-8,11,16,28H,4,9-10,12-15H2,(H,25,26,29)/t16-/m0/s1

InChI Key

JUFKZPAGKRFIMM-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19871233

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

451.55

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

3.637

Distribution Coefficient, logD

3.635

Water Solubility, LogSw

-4.19

Polar Surface Area

70.668

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V016-8581 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V016-8581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8581?
Check Price and Availability of V016-8581, 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 V016-8581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8581
  • 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 V016-8581 available by request