V006-8814 Screening compound: 5-(2,5-dimethylphenyl)-2-({[(furan-2-yl)methyl](2-hydroxy-3-phenylpropyl)amino}methyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

V006-8814 Screening compound: 5-(2,5-dimethylphenyl)-2-({[(furan-2-yl)methyl](2-hydroxy-3-phenylpropyl)amino}methyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
V006-8814 Screening compound: 5-(2,5-dimethylphenyl)-2-({[(furan-2-yl)methyl](2-hydroxy-3-phenylpropyl)amino}methyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8814
5-(2,5-dimethylphenyl)-2-({[(furan-2-yl)methyl](2-hydroxy-3-phenylpropyl)amino}methyl)-3H,4H-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

V006-8814

Molecular Formula

C29H29N3O3S (C29 H29 N3 O3 S)

Compound Name

5-(2,5-dimethylphenyl)-2-({[(furan-2-yl)methyl](2-hydroxy-3-phenylpropyl)amino}methyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

5-(25-dimethylphenyl)-2-({[(furan-2-yl)methyl](2-hydroxy-3-phenylpropyl)amino}methyl)-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

Cc1cc(-c2csc(N=C(CN(CC(Cc3ccccc3)O)Cc3ccco3)N3)c2C3=O)c(C)cc1

InChI

InChI=1S/C29H29N3O3S/c1-19-10-11-20(2)24(13-19)25-18-36-29-27(25)28(34)30-26(31-29)17-32(16-23-9-6-12-35-23)15-22(33)14-21-7-4-3-5-8-21/h3-13,18,22,33H,14-17H2,1-2H3,(H,30,31,34)/t22-/m0/s1

InChI Key

MGYYNSQWIPGXTI-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19979109

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.315

Distribution Coefficient, logD

5.315

Water Solubility, LogSw

-5.26

Polar Surface Area

62.611

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

V006-8814 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V006-8814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8814?
Check Price and Availability of V006-8814, 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 V006-8814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8814
  • 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 V006-8814 available by request