V016-6937 Screening compound: 1-cyclopropyl-7-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V016-6937 Screening compound: 1-cyclopropyl-7-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V016-6937 Screening compound: 1-cyclopropyl-7-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6937
1-cyclopropyl-7-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)-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

V016-6937

Molecular Formula

C22H19FN4O2 (C22 H19 FN4 O2)

Compound Name

1-cyclopropyl-7-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-cyclopropyl-7-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc(cccc1)c1N(c1c(C(N2C3CC3)=O)n(Cc3cccc(F)c3)cn1)C2=O

InChI

InChI=1S/C22H19FN4O2/c1-14-5-2-3-8-18(14)27-20-19(21(28)26(22(27)29)17-9-10-17)25(13-24-20)12-15-6-4-7-16(23)11-15/h2-8,11,13,17H,9-10,12H2,1H3

InChI Key

ASYFYIVPXIHYGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19920299

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

390.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.368

Distribution Coefficient, logD

3.368

Water Solubility, LogSw

-3.58

Polar Surface Area

41.526

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with V016-6937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6937?
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What is the minimum amount of V016-6937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6937
  • 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 V016-6937 available by request