7286-2366 Screening compound: 1,3-dimethyl-7-(prop-2-en-1-yl)-8-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7286-2366 Screening compound: 1,3-dimethyl-7-(prop-2-en-1-yl)-8-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7286-2366 Screening compound: 1,3-dimethyl-7-(prop-2-en-1-yl)-8-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7286-2366
1,3-dimethyl-7-(prop-2-en-1-yl)-8-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]-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

7286-2366

Molecular Formula

C17H16N8O3 (C17 H16 N8 O3)

Compound Name

1,3-dimethyl-7-(prop-2-en-1-yl)-8-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

13-dimethyl-7-(prop-2-en-1-yl)-8-[4-(1H-1234-tetrazol-5-yl)phenoxy]-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CC=C)c(Oc(cc3)ccc3-c3nnn[nH]3)n1)C2=O

InChI

InChI=1S/C17H16N8O3/c1-4-9-25-12-14(23(2)17(27)24(3)15(12)26)18-16(25)28-11-7-5-10(6-8-11)13-19-21-22-20-13/h4-8H,1,9H2,2-3H3,(H,19,20,21,22)

InChI Key

NNSXNFKHHUZEHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05854722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.251

Distribution Coefficient, logD

-0.753

Water Solubility, LogSw

-2.72

Polar Surface Area

100.115

Acid Dissociation Constant (pKa)

2.84

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

7286-2366 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7286-2366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7286-2366?
Check Price and Availability of 7286-2366, 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 7286-2366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7286-2366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7286-2366
  • 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 7286-2366 available by request