C692-0452 Screening compound: ethyl 4-{[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate

C692-0452 Screening compound: ethyl 4-{[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
C692-0452 Screening compound: ethyl 4-{[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0452
ethyl 4-{[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-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

C692-0452

Molecular Formula

C17H26N6O5 (C17 H26 N6 O5)

Compound Name

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

IUPAC name

ethyl 4-{[7-(2-methoxyethyl)-3-methyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate

SMILES

CCOC(N1CCN(Cc2nc(N(C)C(NC3=O)=O)c3n2CCOC)CC1)=O

InChI

InChI=1S/C17H26N6O5/c1-4-28-17(26)22-7-5-21(6-8-22)11-12-18-14-13(23(12)9-10-27-3)15(24)19-16(25)20(14)2/h4-11H2,1-3H3,(H,19,24,25)

InChI Key

FZYDBNSNNCDPMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.269

Distribution Coefficient, logD

0.264

Water Solubility, LogSw

-1.47

Polar Surface Area

87.700

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

References: we are preparing a list of scientific research reports with C692-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0452?
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What is the minimum amount of C692-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0452
  • 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 C692-0452 available by request