V023-7775 Screening compound: 7-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V023-7775 Screening compound: 7-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V023-7775 Screening compound: 7-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-7775
7-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-3-[4-(propan-2-yl)phenyl]-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

V023-7775

Molecular Formula

C30H30N4O2 (C30 H30 N4 O2)

Compound Name

7-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(2-methylphenyl)methyl]-1-(2-phenylethyl)-3-[4-(propan-2-yl)phenyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)c(cc1)ccc1N(c1c(C(N2CCc3ccccc3)=O)n(Cc3c(C)cccc3)cn1)C2=O

InChI

InChI=1S/C30H30N4O2/c1-21(2)24-13-15-26(16-14-24)34-28-27(32(20-31-28)19-25-12-8-7-9-22(25)3)29(35)33(30(34)36)18-17-23-10-5-4-6-11-23/h4-16,20-21H,17-19H2,1-3H3

InChI Key

RCESZWGRRQNSBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19920225

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

478.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.228

Distribution Coefficient, logD

6.228

Water Solubility, LogSw

-5.55

Polar Surface Area

42.253

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

V023-7775 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 V023-7775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-7775?
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What is the minimum amount of V023-7775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-7775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-7775
  • 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 V023-7775 available by request