7282-4811 Screening compound: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7282-4811 Screening compound: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7282-4811 Screening compound: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7282-4811
1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-{[3-(trifluoromethyl)phenyl]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

7282-4811

Molecular Formula

C21H24F3N5O2 (C21 H24 F3 N5 O2)

Compound Name

1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

13-dimethyl-8-(4-methylpiperidin-1-yl)-7-{[3-(trifluoromethyl)phenyl]methyl}-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(CC1)CCN1c1nc(N(C)C(N(C)C2=O)=O)c2n1Cc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C21H24F3N5O2/c1-13-7-9-28(10-8-13)19-25-17-16(18(30)27(3)20(31)26(17)2)29(19)12-14-5-4-6-15(11-14)21(22,23)24/h4-6,11,13H,7-10,12H2,1-3H3

InChI Key

KLXOKHGAAHMQPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05819706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.626

Distribution Coefficient, logD

4.626

Water Solubility, LogSw

-4.50

Polar Surface Area

45.697

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with 7282-4811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7282-4811?
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What is the minimum amount of 7282-4811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7282-4811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7282-4811
  • 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 7282-4811 available by request