7282-5541 Screening compound: 8-(benzylamino)-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7282-5541 Screening compound: 8-(benzylamino)-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7282-5541 Screening compound: 8-(benzylamino)-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7282-5541
8-(benzylamino)-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-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

7282-5541

Molecular Formula

C21H20FN5O2 (C21 H20 FN5 O2)

Compound Name

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

IUPAC name

8-(benzylamino)-1-[(2-fluorophenyl)methyl]-37-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(NCc2ccccc2)nc(N(C)C(N2Cc(cccc3)c3F)=O)c1C2=O

InChI

InChI=1S/C21H20FN5O2/c1-25-17-18(24-20(25)23-12-14-8-4-3-5-9-14)26(2)21(29)27(19(17)28)13-15-10-6-7-11-16(15)22/h3-11H,12-13H2,1-2H3,(H,23,24)

InChI Key

ANQJDCFYLUXIIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01556423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.249

Distribution Coefficient, logD

3.246

Water Solubility, LogSw

-3.31

Polar Surface Area

55.891

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 7282-5541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7282-5541?
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What is the minimum amount of 7282-5541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7282-5541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7282-5541
  • 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 7282-5541 available by request