V016-7545 Screening compound: 3-(2-chlorophenyl)-7-[(2-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V016-7545 Screening compound: 3-(2-chlorophenyl)-7-[(2-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V016-7545 Screening compound: 3-(2-chlorophenyl)-7-[(2-methoxyphenyl)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 V016-7545
3-(2-chlorophenyl)-7-[(2-methoxyphenyl)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

V016-7545

Molecular Formula

C22H19ClN4O3 (C22 H19 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1c(Cn2c(C(N(CC=C)C(N3c(cccc4)c4Cl)=O)=O)c3nc2)cccc1

InChI

InChI=1S/C22H19ClN4O3/c1-3-12-26-21(28)19-20(27(22(26)29)17-10-6-5-9-16(17)23)24-14-25(19)13-15-8-4-7-11-18(15)30-2/h3-11,14H,1,12-13H2,2H3

InChI Key

OBSQODBGOWVQHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904393

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

422.87

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

3.440

Distribution Coefficient, logD

3.440

Water Solubility, LogSw

-3.50

Polar Surface Area

49.854

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with V016-7545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-7545?
Check Price and Availability of V016-7545, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V016-7545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-7545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-7545
  • 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 V016-7545 available by request