V021-2129 Screening compound: 3-(3-chlorophenyl)-7-[(4-methylphenyl)methyl]-1-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V021-2129 Screening compound: 3-(3-chlorophenyl)-7-[(4-methylphenyl)methyl]-1-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V021-2129 Screening compound: 3-(3-chlorophenyl)-7-[(4-methylphenyl)methyl]-1-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-2129
3-(3-chlorophenyl)-7-[(4-methylphenyl)methyl]-1-(2-methylpropyl)-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

V021-2129

Molecular Formula

C23H23ClN4O2 (C23 H23 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(C(c1c(N2c3cccc(Cl)c3)ncn1Cc1ccc(C)cc1)=O)C2=O

InChI

InChI=1S/C23H23ClN4O2/c1-15(2)12-27-22(29)20-21(28(23(27)30)19-6-4-5-18(24)11-19)25-14-26(20)13-17-9-7-16(3)8-10-17/h4-11,14-15H,12-13H2,1-3H3

InChI Key

TUFSCDNANBKRLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27629709

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

422.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.653

Distribution Coefficient, logD

4.653

Water Solubility, LogSw

-4.68

Polar Surface Area

42.546

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with V021-2129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2129?
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What is the minimum amount of V021-2129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2129
  • 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 V021-2129 available by request