V015-9487 Screening compound: 3-(3-chlorophenyl)-7-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V015-9487 Screening compound: 3-(3-chlorophenyl)-7-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V015-9487 Screening compound: 3-(3-chlorophenyl)-7-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-9487
3-(3-chlorophenyl)-7-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-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

V015-9487

Molecular Formula

C21H18ClFN4O3 (C21 H18 ClFN4 O3)

Compound Name

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

IUPAC name

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

SMILES

COCCN(C(c1c(N2c3cccc(Cl)c3)ncn1Cc1cc(F)ccc1)=O)C2=O

InChI

InChI=1S/C21H18ClFN4O3/c1-30-9-8-26-20(28)18-19(27(21(26)29)17-7-3-5-15(22)11-17)24-13-25(18)12-14-4-2-6-16(23)10-14/h2-7,10-11,13H,8-9,12H2,1H3

InChI Key

DOTBVWFSCKCMMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19920369

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.988

Distribution Coefficient, logD

2.988

Water Solubility, LogSw

-3.26

Polar Surface Area

50.867

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with V015-9487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-9487?
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What is the minimum amount of V015-9487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-9487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-9487
  • 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 V015-9487 available by request