V030-2417 Screening compound: 3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V030-2417 Screening compound: 3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V030-2417 Screening compound: 3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-2417
3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-1-(prop-2-en-1-yl)-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

V030-2417

Molecular Formula

C21H16ClFN4O2 (C21 H16 ClFN4 O2)

Compound Name

3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

3-(4-chlorophenyl)-7-[(4-fluorophenyl)methyl]-1-(prop-2-en-1-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

C=CCN(C(c1c(N2c(cc3)ccc3Cl)ncn1Cc(cc1)ccc1F)=O)C2=O

InChI

InChI=1S/C21H16ClFN4O2/c1-2-11-26-20(28)18-19(27(21(26)29)17-9-5-15(22)6-10-17)24-13-25(18)12-14-3-7-16(23)8-4-14/h2-10,13H,1,11-12H2

InChI Key

VHUFTZYCQRLIEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20501200

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

410.83

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

3.459

Distribution Coefficient, logD

3.459

Water Solubility, LogSw

-3.60

Polar Surface Area

42.524

Acid Dissociation Constant (pKa)

21.68

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with V030-2417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-2417?
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What is the minimum amount of V030-2417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-2417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-2417
  • 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 V030-2417 available by request