V018-9118 Screening compound: 1-cyclopropyl-7-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V018-9118 Screening compound: 1-cyclopropyl-7-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V018-9118 Screening compound: 1-cyclopropyl-7-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-9118
1-cyclopropyl-7-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-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

V018-9118

Molecular Formula

C22H19FN4O3 (C22 H19 FN4 O3)

Compound Name

1-cyclopropyl-7-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-cyclopropyl-7-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

COc(cccc1)c1N(c1c(C(N2C3CC3)=O)n(Cc(cc3)ccc3F)cn1)C2=O

InChI

InChI=1S/C22H19FN4O3/c1-30-18-5-3-2-4-17(18)27-20-19(21(28)26(22(27)29)16-10-11-16)25(13-24-20)12-14-6-8-15(23)9-7-14/h2-9,13,16H,10-12H2,1H3

InChI Key

DMQIRGVYTFTGHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19919998

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

406.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.706

Distribution Coefficient, logD

2.706

Water Solubility, LogSw

-2.95

Polar Surface Area

49.157

Acid Dissociation Constant (pKa)

21.68

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with V018-9118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-9118?
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What is the minimum amount of V018-9118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-9118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-9118
  • 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 V018-9118 available by request