C470-0660 Screening compound: ethyl 4-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate

C470-0660 Screening compound: ethyl 4-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
C470-0660 Screening compound: ethyl 4-{[1,3-dimethyl-7-(3-methylbutyl)-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 C470-0660
ethyl 4-{[1,3-dimethyl-7-(3-methylbutyl)-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

C470-0660

Molecular Formula

C20H32N6O4 (C20 H32 N6 O4)

Compound Name

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

IUPAC name

ethyl 4-{[13-dimethyl-7-(3-methylbutyl)-26-dioxo-2367-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate

SMILES

CCOC(N1CCN(Cc2nc(N(C)C(N(C)C3=O)=O)c3n2CCC(C)C)CC1)=O

InChI

InChI=1S/C20H32N6O4/c1-6-30-20(29)25-11-9-24(10-12-25)13-15-21-17-16(26(15)8-7-14(2)3)18(27)23(5)19(28)22(17)4/h14H,6-13H2,1-5H3

InChI Key

GKOJIAWFGXJNQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.409

Distribution Coefficient, logD

2.407

Water Solubility, LogSw

-2.15

Polar Surface Area

70.443

Acid Dissociation Constant (pKa)

23.08

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

C470-0660 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C470-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0660?
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What is the minimum amount of C470-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0660
  • 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 C470-0660 available by request