5692-0435 Screening compound: 3,7-DIMETHYL-1-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE

5692-0435 Screening compound: 3,7-DIMETHYL-1-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
5692-0435 Screening compound: 3,7-DIMETHYL-1-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5692-0435
3,7-DIMETHYL-1-{[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

5692-0435

Molecular Formula

C15H13F3N4O2 (C15 H13 F3 N4 O2)

Compound Name

3,7-DIMETHYL-1-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE

IUPAC name

n/a

SMILES

Cn1c(C(N(Cc2cccc(C(F)(F)F)c2)C(N2C)=O)=O)c2nc1

InChI

InChI=1S/C15H13F3N4O2/c1-20-8-19-12-11(20)13(23)22(14(24)21(12)2)7-9-4-3-5-10(6-9)15(16,17)18/h3-6,8H,7H2,1-2H3

InChI Key

JBXVXIKWYBHSST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04141672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.165

Distribution Coefficient, logD

2.165

Water Solubility, LogSw

-2.59

Polar Surface Area

43.751

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with 5692-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5692-0435?
Check Price and Availability of 5692-0435, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5692-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5692-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5692-0435
  • 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 5692-0435 available by request