V013-0762 Screening compound: 7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-1-(2-methoxyethyl)-3-(4-methylphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V013-0762 Screening compound: 7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-1-(2-methoxyethyl)-3-(4-methylphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V013-0762 Screening compound: 7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-1-(2-methoxyethyl)-3-(4-methylphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-0762
7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-1-(2-methoxyethyl)-3-(4-methylphenyl)-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

V013-0762

Molecular Formula

C25H26N4O4 (C25 H26 N4 O4)

Compound Name

7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-1-(2-methoxyethyl)-3-(4-methylphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[2-(24-dimethylphenyl)-2-oxoethyl]-1-(2-methoxyethyl)-3-(4-methylphenyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc(cc1)ccc1N(c1c(C(N2CCOC)=O)n(CC(c3c(C)cc(C)cc3)=O)cn1)C2=O

InChI

InChI=1S/C25H26N4O4/c1-16-5-8-19(9-6-16)29-23-22(24(31)28(25(29)32)11-12-33-4)27(15-26-23)14-21(30)20-10-7-17(2)13-18(20)3/h5-10,13,15H,11-12,14H2,1-4H3

InChI Key

KGRJVSMSLRSWJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27627100

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

446.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.16

Polar Surface Area

64.114

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V013-0762 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V013-0762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0762?
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What is the minimum amount of V013-0762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0762
  • 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 V013-0762 available by request