V031-1762 Screening compound: 3-(4-chlorophenyl)-7-[(2-chlorophenyl)methyl]-1-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V031-1762 Screening compound: 3-(4-chlorophenyl)-7-[(2-chlorophenyl)methyl]-1-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V031-1762 Screening compound: 3-(4-chlorophenyl)-7-[(2-chlorophenyl)methyl]-1-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1762
3-(4-chlorophenyl)-7-[(2-chlorophenyl)methyl]-1-(3-methylbutyl)-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

V031-1762

Molecular Formula

C23H22Cl2N4O2 (C23 H22 Cl2 N4 O2)

Compound Name

3-(4-chlorophenyl)-7-[(2-chlorophenyl)methyl]-1-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

3-(4-chlorophenyl)-7-[(2-chlorophenyl)methyl]-1-(3-methylbutyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)CCN(C(c1c(N2c(cc3)ccc3Cl)ncn1Cc(cccc1)c1Cl)=O)C2=O

InChI

InChI=1S/C23H22Cl2N4O2/c1-15(2)11-12-28-22(30)20-21(29(23(28)31)18-9-7-17(24)8-10-18)26-14-27(20)13-16-5-3-4-6-19(16)25/h3-10,14-15H,11-13H2,1-2H3

InChI Key

YZAZCZZLSCMZLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19920970

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.228

Distribution Coefficient, logD

5.228

Water Solubility, LogSw

-5.63

Polar Surface Area

42.524

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V031-1762 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 V031-1762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1762?
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What is the minimum amount of V031-1762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1762
  • 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 V031-1762 available by request