C470-0063 Screening compound: ethyl 4-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate

C470-0063 Screening compound: ethyl 4-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate
C470-0063 Screening compound: ethyl 4-[(7-butyl-1,3-dimethyl-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 C470-0063
ethyl 4-[(7-butyl-1,3-dimethyl-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

C470-0063

Molecular Formula

C19H30N6O4 (C19 H30 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCCn1c(C(N(C)C(N2C)=O)=O)c2nc1CN(CC1)CCN1C(OCC)=O

InChI

InChI=1S/C19H30N6O4/c1-5-7-8-25-14(13-23-9-11-24(12-10-23)19(28)29-6-2)20-16-15(25)17(26)22(4)18(27)21(16)3/h5-13H2,1-4H3

InChI Key

QZMDMCLAIWFBTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.49

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

1.987

Distribution Coefficient, logD

1.985

Water Solubility, LogSw

-1.95

Polar Surface Area

70.443

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

C470-0063 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 C470-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0063?
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What is the minimum amount of C470-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0063
  • 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 C470-0063 available by request