C470-0461 Screening compound: ethyl 2-{8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate

C470-0461 Screening compound: ethyl 2-{8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate
C470-0461 Screening compound: ethyl 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 C470-0461
ethyl 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

C470-0461

Molecular Formula

C24H31N5O4 (C24 H31 N5 O4)

Compound Name

ethyl 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

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

SMILES

CCOC(Cn1c(C(N(C)C(N2C)=O)=O)c2nc1CN1CCC(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C24H31N5O4/c1-4-33-20(30)16-29-19(25-22-21(29)23(31)27(3)24(32)26(22)2)15-28-12-10-18(11-13-28)14-17-8-6-5-7-9-17/h5-9,18H,4,10-16H2,1-3H3

InChI Key

MQYDAIUWXIRFHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.387

Distribution Coefficient, logD

3.376

Water Solubility, LogSw

-3.53

Polar Surface Area

67.572

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C470-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0461?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0461
  • 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 C470-0461 available by request