C470-0220 Screening compound: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0220 Screening compound: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0220 Screening compound: 7-[(2-chloro-6-fluorophenyl)methyl]-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 C470-0220
7-[(2-chloro-6-fluorophenyl)methyl]-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

C470-0220

Molecular Formula

C21H25ClFN5O2 (C21 H25 ClFN5 O2)

Compound Name

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

IUPAC name

7-[(2-chloro-6-fluorophenyl)methyl]-13-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CC1CN(Cc2nc(N(C)C(N(C)C3=O)=O)c3n2Cc(c(F)ccc2)c2Cl)CCC1

InChI

InChI=1S/C21H25ClFN5O2/c1-13-6-5-9-27(10-13)12-17-24-19-18(20(29)26(3)21(30)25(19)2)28(17)11-14-15(22)7-4-8-16(14)23/h4,7-8,13H,5-6,9-12H2,1-3H3/t13-/m0/s1

InChI Key

YGWLDMTVPHQFIX-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04466350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.625

Distribution Coefficient, logD

3.598

Water Solubility, LogSw

-3.87

Polar Surface Area

47.347

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

C470-0220 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C470-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C470-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0220
  • 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 C470-0220 available by request