V016-5394 Screening compound: 1-ethyl-7-[(3-nitrophenyl)methyl]-3-phenyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V016-5394 Screening compound: 1-ethyl-7-[(3-nitrophenyl)methyl]-3-phenyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V016-5394 Screening compound: 1-ethyl-7-[(3-nitrophenyl)methyl]-3-phenyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-5394
1-ethyl-7-[(3-nitrophenyl)methyl]-3-phenyl-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

V016-5394

Molecular Formula

C20H17N5O4 (C20 H17 N5 O4)

Compound Name

1-ethyl-7-[(3-nitrophenyl)methyl]-3-phenyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-ethyl-7-[(3-nitrophenyl)methyl]-3-phenyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCN(C(c1c(N2c3ccccc3)ncn1Cc1cccc([N+]([O-])=O)c1)=O)C2=O

InChI

InChI=1S/C20H17N5O4/c1-2-23-19(26)17-18(24(20(23)27)15-8-4-3-5-9-15)21-13-22(17)12-14-7-6-10-16(11-14)25(28)29/h3-11,13H,2,12H2,1H3

InChI Key

ZBRKFPWWMAVAPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904654

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

391.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.420

Distribution Coefficient, logD

2.420

Water Solubility, LogSw

-2.67

Polar Surface Area

75.652

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with V016-5394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-5394?
Check Price and Availability of V016-5394, 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 V016-5394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-5394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-5394
  • 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 V016-5394 available by request