7282-4698 Screening compound: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-2-yl)methyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7282-4698 Screening compound: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-2-yl)methyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7282-4698 Screening compound: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-2-yl)methyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7282-4698
7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-2-yl)methyl]amino}-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

7282-4698

Molecular Formula

C20H19FN6O2 (C20 H19 FN6 O2)

Compound Name

7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-2-yl)methyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(4-fluorophenyl)methyl]-13-dimethyl-8-{[(pyridin-2-yl)methyl]amino}-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc(cc3)ccc3F)c(NCc3ncccc3)n1)C2=O

InChI

InChI=1S/C20H19FN6O2/c1-25-17-16(18(28)26(2)20(25)29)27(12-13-6-8-14(21)9-7-13)19(24-17)23-11-15-5-3-4-10-22-15/h3-10H,11-12H2,1-2H3,(H,23,24)

InChI Key

AJPOLXQASSGYKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06253016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.684

Distribution Coefficient, logD

2.675

Water Solubility, LogSw

-2.86

Polar Surface Area

64.389

Acid Dissociation Constant (pKa)

17.80

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

7282-4698 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 7282-4698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7282-4698?
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What is the minimum amount of 7282-4698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7282-4698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7282-4698
  • 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 7282-4698 available by request