C470-0674 Screening compound: 7-hexyl-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0674 Screening compound: 7-hexyl-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0674 Screening compound: 7-hexyl-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0674
7-hexyl-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

C470-0674

Molecular Formula

C20H33N5O2 (C20 H33 N5 O2)

Compound Name

7-hexyl-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-hexyl-13-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCCCCn1c(C(N(C)C(N2C)=O)=O)c2nc1CN1CC(C)CCC1

InChI

InChI=1S/C20H33N5O2/c1-5-6-7-8-12-25-16(14-24-11-9-10-15(2)13-24)21-18-17(25)19(26)23(4)20(27)22(18)3/h15H,5-14H2,1-4H3/t15-/m0/s1

InChI Key

WOGCGPSNIMIINF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD04466689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.866

Distribution Coefficient, logD

3.659

Water Solubility, LogSw

-3.64

Polar Surface Area

47.596

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

C470-0674 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C470-0674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0674?
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What is the minimum amount of C470-0674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0674
  • 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 C470-0674 available by request