V025-9247 Screening compound: 3-{[3-(2-chlorophenyl)-1-ethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile

V025-9247 Screening compound: 3-{[3-(2-chlorophenyl)-1-ethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile
V025-9247 Screening compound: 3-{[3-(2-chlorophenyl)-1-ethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-9247
3-{[3-(2-chlorophenyl)-1-ethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile

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

V025-9247

Molecular Formula

C21H16ClN5O2 (C21 H16 ClN5 O2)

Compound Name

3-{[3-(2-chlorophenyl)-1-ethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile

IUPAC name

3-{[3-(2-chlorophenyl)-1-ethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl]methyl}benzonitrile

SMILES

CCN(C(c1c(N2c(cccc3)c3Cl)ncn1Cc1cc(C#N)ccc1)=O)C2=O

InChI

InChI=1S/C21H16ClN5O2/c1-2-26-20(28)18-19(27(21(26)29)17-9-4-3-8-16(17)22)24-13-25(18)12-15-7-5-6-14(10-15)11-23/h3-10,13H,2,12H2,1H3

InChI Key

QWUNAPKFBHKIQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921161

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

405.84

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

2.743

Distribution Coefficient, logD

2.743

Water Solubility, LogSw

-3.43

Polar Surface Area

59.026

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with V025-9247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-9247?
Check Price and Availability of V025-9247, 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 V025-9247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-9247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-9247
  • 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 V025-9247 available by request