C470-0466 Screening compound: ethyl 2-{1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate

C470-0466 Screening compound: ethyl 2-{1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate
C470-0466 Screening compound: ethyl 2-{1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0466
ethyl 2-{1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate

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

C470-0466

Molecular Formula

C22H28N6O4 (C22 H28 N6 O4)

Compound Name

ethyl 2-{1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate

IUPAC name

ethyl 2-{13-dimethyl-26-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-2367-tetrahydro-1H-purin-7-yl}acetate

SMILES

CCOC(Cn1c(C(N(C)C(N2C)=O)=O)c2nc1CN(CC1)CCN1c1ccccc1)=O

InChI

InChI=1S/C22H28N6O4/c1-4-32-18(29)15-28-17(23-20-19(28)21(30)25(3)22(31)24(20)2)14-26-10-12-27(13-11-26)16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3

InChI Key

XJCMXYQRAZUBIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.979

Distribution Coefficient, logD

1.978

Water Solubility, LogSw

-2.26

Polar Surface Area

71.104

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with C470-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0466?
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What is the minimum amount of C470-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0466
  • 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 C470-0466 available by request