V016-8593 Screening compound: 2-({benzyl[3-(2-furylmethoxy)-2-hydroxypropyl]amino}methyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

V016-8593 Screening compound: 2-({benzyl[3-(2-furylmethoxy)-2-hydroxypropyl]amino}methyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
V016-8593 Screening compound: 2-({benzyl[3-(2-furylmethoxy)-2-hydroxypropyl]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 V016-8593
2-({benzyl[3-(2-furylmethoxy)-2-hydroxypropyl]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

V016-8593

Molecular Formula

C25H27N3O4S (C25 H27 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

OC(CN(Cc1ccccc1)CC(N1)=Nc(sc2c3CCC2)c3C1=O)COCc1ccco1

InChI

InChI=1S/C25H27N3O4S/c29-18(15-31-16-19-8-5-11-32-19)13-28(12-17-6-2-1-3-7-17)14-22-26-24(30)23-20-9-4-10-21(20)33-25(23)27-22/h1-3,5-8,11,18,29H,4,9-10,12-16H2,(H,26,27,30)/t18-/m0/s1

InChI Key

KSYJZGVJYPTGBH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19871239

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

465.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.399

Distribution Coefficient, logD

3.395

Water Solubility, LogSw

-3.84

Polar Surface Area

71.604

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

V016-8593 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 V016-8593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8593?
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What is the minimum amount of V016-8593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8593
  • 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 V016-8593 available by request