V023-5263 Screening compound: 1-ethyl-3-(3-fluorophenyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V023-5263 Screening compound: 1-ethyl-3-(3-fluorophenyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V023-5263 Screening compound: 1-ethyl-3-(3-fluorophenyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-5263
1-ethyl-3-(3-fluorophenyl)-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

V023-5263

Molecular Formula

C21H16F4N4O2 (C21 H16 F4 N4 O2)

Compound Name

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

IUPAC name

1-ethyl-3-(3-fluorophenyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-2367-tetrahydro-1H-purine-26-dione

SMILES

CCN(C(c1c(N2c3cccc(F)c3)ncn1Cc1ccc(C(F)(F)F)cc1)=O)C2=O

InChI

InChI=1S/C21H16F4N4O2/c1-2-28-19(30)17-18(29(20(28)31)16-5-3-4-15(22)10-16)26-12-27(17)11-13-6-8-14(9-7-13)21(23,24)25/h3-10,12H,2,11H2,1H3

InChI Key

WBIGYQPNPDQRKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19919968

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

432.38

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

3.628

Distribution Coefficient, logD

3.628

Water Solubility, LogSw

-3.85

Polar Surface Area

42.271

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with V023-5263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-5263?
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What is the minimum amount of V023-5263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-5263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-5263
  • 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 V023-5263 available by request