C470-0464 Screening compound: ethyl 2-{8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate

C470-0464 Screening compound: ethyl 2-{8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate
C470-0464 Screening compound: ethyl 2-{8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0464
ethyl 2-{8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-2,6-dioxo-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

C470-0464

Molecular Formula

C18H27N5O5 (C18 H27 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(Cn1c(C(N(C)C(N2C)=O)=O)c2nc1CN1CC(C)OC(C)C1)=O

InChI

InChI=1S/C18H27N5O5/c1-6-27-14(24)10-23-13(9-22-7-11(2)28-12(3)8-22)19-16-15(23)17(25)21(5)18(26)20(16)4/h11-12H,6-10H2,1-5H3

InChI Key

LZBHZRCIZJRQGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.647

Distribution Coefficient, logD

0.647

Water Solubility, LogSw

-0.48

Polar Surface Area

74.776

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

C470-0464 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C470-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0464?
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What is the minimum amount of C470-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0464
  • 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 C470-0464 available by request