C470-0492 Screening compound: ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate

C470-0492 Screening compound: ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
C470-0492 Screening compound: ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0492
ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate

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

C470-0492

Molecular Formula

C23H28N6O5 (C23 H28 N6 O5)

Compound Name

ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{[13-dimethyl-26-dioxo-7-(2-oxo-2-phenylethyl)-2367-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate

SMILES

CCOC(N1CCN(Cc2nc(N(C)C(N(C)C3=O)=O)c3n2CC(c2ccccc2)=O)CC1)=O

InChI

InChI=1S/C23H28N6O5/c1-4-34-23(33)28-12-10-27(11-13-28)15-18-24-20-19(21(31)26(3)22(32)25(20)2)29(18)14-17(30)16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3

InChI Key

JHTQBYRHNFOGFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.658

Distribution Coefficient, logD

1.657

Water Solubility, LogSw

-2.09

Polar Surface Area

83.440

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with C470-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0492
  • 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 C470-0492 available by request