C470-0323 Screening compound: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0323 Screening compound: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0323 Screening compound: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0323
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-methylpiperazin-1-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

C470-0323

Molecular Formula

C21H28N6O2 (C21 H28 N6 O2)

Compound Name

1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

13-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc1ccc(Cn2c(C(N(C)C(N3C)=O)=O)c3nc2CN2CCN(C)CC2)cc1

InChI

InChI=1S/C21H28N6O2/c1-15-5-7-16(8-6-15)13-27-17(14-26-11-9-23(2)10-12-26)22-19-18(27)20(28)25(4)21(29)24(19)3/h5-8H,9-14H2,1-4H3

InChI Key

VGWVGMKDVHJSAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.979

Distribution Coefficient, logD

1.008

Water Solubility, LogSw

-2.30

Polar Surface Area

50.890

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C470-0323 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C470-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0323?
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What is the minimum amount of C470-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0323
  • 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 C470-0323 available by request