V021-6024 Screening compound: 7-[(3-chlorophenyl)methyl]-3-(2,6-dimethylphenyl)-1-[(oxolan-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V021-6024 Screening compound: 7-[(3-chlorophenyl)methyl]-3-(2,6-dimethylphenyl)-1-[(oxolan-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V021-6024 Screening compound: 7-[(3-chlorophenyl)methyl]-3-(2,6-dimethylphenyl)-1-[(oxolan-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6024
7-[(3-chlorophenyl)methyl]-3-(2,6-dimethylphenyl)-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

V021-6024

Molecular Formula

C25H25ClN4O3 (C25 H25 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C)c1N(c1c(C(N2CC3OCCC3)=O)n(Cc3cccc(Cl)c3)cn1)C2=O

InChI

InChI=1S/C25H25ClN4O3/c1-16-6-3-7-17(2)21(16)30-23-22(24(31)29(25(30)32)14-20-10-5-11-33-20)28(15-27-23)13-18-8-4-9-19(26)12-18/h3-4,6-9,12,15,20H,5,10-11,13-14H2,1-2H3/t20-/m1/s1

InChI Key

LQEOFISAEAMJFZ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19919710

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.95

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

3.835

Distribution Coefficient, logD

3.835

Water Solubility, LogSw

-4.05

Polar Surface Area

50.327

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

V021-6024 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 V021-6024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6024?
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What is the minimum amount of V021-6024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6024
  • 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 V021-6024 available by request