V024-8281 Screening compound: 5-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-(methoxymethyl)pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]furan-2-carboxamide

V024-8281 Screening compound: 5-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-(methoxymethyl)pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]furan-2-carboxamide
V024-8281 Screening compound: 5-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-(methoxymethyl)pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-8281
5-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-(methoxymethyl)pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]furan-2-carboxamide

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

V024-8281

Molecular Formula

C28H36N4O6S (C28 H36 N4 O6 S)

Compound Name

5-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-(methoxymethyl)pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]furan-2-carboxamide

IUPAC name

5-{[(4-{[2-(34-dimethoxyphenyl)ethyl](methyl)amino}-6-(methoxymethyl)pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]furan-2-carboxamide

SMILES

CN(CCc(cc1)cc(OC)c1OC)c1cc(COC)nc(SCc2ccc(C(NCC3OCCC3)=O)o2)n1

InChI

InChI=1S/C28H36N4O6S/c1-32(12-11-19-7-9-23(35-3)25(14-19)36-4)26-15-20(17-34-2)30-28(31-26)39-18-22-8-10-24(38-22)27(33)29-16-21-6-5-13-37-21/h7-10,14-15,21H,5-6,11-13,16-18H2,1-4H3,(H,29,33)/t21-/m1/s1

InChI Key

KCELTECPSAMUPN-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19826218

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

556.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.416

Distribution Coefficient, logD

3.414

Water Solubility, LogSw

-3.79

Polar Surface Area

84.746

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

V024-8281 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V024-8281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-8281?
Check Price and Availability of V024-8281, 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 V024-8281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-8281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-8281
  • 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 V024-8281 available by request