V024-1078 Screening compound: 3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]-1-[(oxolan-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V024-1078 Screening compound: 3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]-1-[(oxolan-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V024-1078 Screening compound: 3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]-1-[(oxolan-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-1078
3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]-1-[(oxolan-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

V024-1078

Molecular Formula

C25H26N4O3 (C25 H26 N4 O3)

Compound Name

3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]-1-[(oxolan-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]-1-[(oxolan-2-yl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc1c(Cn2c(C(N(CC3OCCC3)C(N3c4c(C)cccc4)=O)=O)c3nc2)cccc1

InChI

InChI=1S/C25H26N4O3/c1-17-8-3-5-10-19(17)14-27-16-26-23-22(27)24(30)28(15-20-11-7-13-32-20)25(31)29(23)21-12-6-4-9-18(21)2/h3-6,8-10,12,16,20H,7,11,13-15H2,1-2H3/t20-/m1/s1

InChI Key

YHONMYWDDVQXAN-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19920311

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.605

Distribution Coefficient, logD

3.605

Water Solubility, LogSw

-3.47

Polar Surface Area

50.628

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

V024-1078 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V024-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-1078?
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What is the minimum amount of V024-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-1078
  • 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 V024-1078 available by request