V016-6738 Screening compound: methyl 4-{[3-(2-methoxyphenyl)-1-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate

V016-6738 Screening compound: methyl 4-{[3-(2-methoxyphenyl)-1-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate
V016-6738 Screening compound: methyl 4-{[3-(2-methoxyphenyl)-1-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6738
methyl 4-{[3-(2-methoxyphenyl)-1-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate

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

V016-6738

Molecular Formula

C25H26N4O5 (C25 H26 N4 O5)

Compound Name

methyl 4-{[3-(2-methoxyphenyl)-1-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate

IUPAC name

methyl 4-{[3-(2-methoxyphenyl)-1-(2-methylpropyl)-26-dioxo-2367-tetrahydro-1H-purin-7-yl]methyl}benzoate

SMILES

CC(C)CN(C(c1c(N2c(cccc3)c3OC)ncn1Cc(cc1)ccc1C(OC)=O)=O)C2=O

InChI

InChI=1S/C25H26N4O5/c1-16(2)13-28-23(30)21-22(29(25(28)32)19-7-5-6-8-20(19)33-3)26-15-27(21)14-17-9-11-18(12-10-17)24(31)34-4/h5-12,15-16H,13-14H2,1-4H3

InChI Key

ZHFRYIHFNXUMGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904372

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.540

Distribution Coefficient, logD

3.540

Water Solubility, LogSw

-3.61

Polar Surface Area

71.049

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V016-6738 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V016-6738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6738?
Check Price and Availability of V016-6738, 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 V016-6738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6738
  • 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 V016-6738 available by request