C470-0348 Screening compound: 8-[(4-ethylpiperazin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0348 Screening compound: 8-[(4-ethylpiperazin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0348 Screening compound: 8-[(4-ethylpiperazin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0348
8-[(4-ethylpiperazin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-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

C470-0348

Molecular Formula

C21H27FN6O2 (C21 H27 FN6 O2)

Compound Name

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

IUPAC name

8-[(4-ethylpiperazin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCN1CCN(Cc2nc(N(C)C(N(C)C3=O)=O)c3n2Cc(cccc2)c2F)CC1

InChI

InChI=1S/C21H27FN6O2/c1-4-26-9-11-27(12-10-26)14-17-23-19-18(20(29)25(3)21(30)24(19)2)28(17)13-15-7-5-6-8-16(15)22/h5-8H,4,9-14H2,1-3H3

InChI Key

WQCRKKZCMIEBJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.179

Distribution Coefficient, logD

1.068

Water Solubility, LogSw

-2.31

Polar Surface Area

50.950

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C470-0348 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 C470-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0348?
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What is the minimum amount of C470-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0348
  • 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 C470-0348 available by request