V025-9265 Screening compound: 3-(3-chlorophenyl)-1-(propan-2-yl)-7-{[4-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V025-9265 Screening compound: 3-(3-chlorophenyl)-1-(propan-2-yl)-7-{[4-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V025-9265 Screening compound: 3-(3-chlorophenyl)-1-(propan-2-yl)-7-{[4-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-9265
3-(3-chlorophenyl)-1-(propan-2-yl)-7-{[4-(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

V025-9265

Molecular Formula

C22H18ClF3N4O2 (C22 H18 ClF3 N4 O2)

Compound Name

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

IUPAC name

3-(3-chlorophenyl)-1-(propan-2-yl)-7-{[4-(trifluoromethyl)phenyl]methyl}-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)N(C(c1c(N2c3cccc(Cl)c3)ncn1Cc1ccc(C(F)(F)F)cc1)=O)C2=O

InChI

InChI=1S/C22H18ClF3N4O2/c1-13(2)29-20(31)18-19(30(21(29)32)17-5-3-4-16(23)10-17)27-12-28(18)11-14-6-8-15(9-7-14)22(24,25)26/h3-10,12-13H,11H2,1-2H3

InChI Key

CSEFURWKVWTKSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20501230

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.550

Distribution Coefficient, logD

4.550

Water Solubility, LogSw

-4.67

Polar Surface Area

42.267

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with V025-9265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-9265?
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What is the minimum amount of V025-9265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-9265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-9265
  • 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 V025-9265 available by request