C470-0438 Screening compound: methyl 2-{8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate

C470-0438 Screening compound: methyl 2-{8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate
C470-0438 Screening compound: methyl 2-{8-[(4-benzylpiperidin-1-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 C470-0438
methyl 2-{8-[(4-benzylpiperidin-1-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

C470-0438

Molecular Formula

C23H29N5O4 (C23 H29 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(c1c(C(N2C)=O)n(CC(OC)=O)c(CN3CCC(Cc4ccccc4)CC3)n1)C2=O

InChI

InChI=1S/C23H29N5O4/c1-25-21-20(22(30)26(2)23(25)31)28(15-19(29)32-3)18(24-21)14-27-11-9-17(10-12-27)13-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3

InChI Key

BCWYUYNEIBXTKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.852

Distribution Coefficient, logD

2.841

Water Solubility, LogSw

-3.08

Polar Surface Area

67.992

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

C470-0438 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C470-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0438?
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What is the minimum amount of C470-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0438
  • 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 C470-0438 available by request