C470-0045 Screening compound: 8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0045 Screening compound: 8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0045 Screening compound: 8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0045
8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-propyl-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

C470-0045

Molecular Formula

C28H34N6O2 (C28 H34 N6 O2)

Compound Name

8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-13-dimethyl-7-propyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCn1c(C(N(C)C(N2C)=O)=O)c2nc1CN(CC1)CCN1C(c1ccccc1)c1ccccc1

InChI

InChI=1S/C28H34N6O2/c1-4-15-34-23(29-26-25(34)27(35)31(3)28(36)30(26)2)20-32-16-18-33(19-17-32)24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,24H,4,15-20H2,1-3H3

InChI Key

VCZFUBSQTOIABJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.292

Distribution Coefficient, logD

4.255

Water Solubility, LogSw

-4.05

Polar Surface Area

50.224

Acid Dissociation Constant (pKa)

23.65

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

C470-0045 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C470-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0045?
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What is the minimum amount of C470-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0045
  • 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 C470-0045 available by request