P814-5977 Screening compound: 3-(9-methyl-8-oxo-8,9-dihydro-7H-purin-7-yl)propyl cyanide

P814-5977 Screening compound: 3-(9-methyl-8-oxo-8,9-dihydro-7H-purin-7-yl)propyl cyanide
P814-5977 Screening compound: 3-(9-methyl-8-oxo-8,9-dihydro-7H-purin-7-yl)propyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound P814-5977
3-(9-methyl-8-oxo-8,9-dihydro-7H-purin-7-yl)propyl cyanide

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

P814-5977

Molecular Formula

C10H11N5O (C10 H11 N5 O)

Compound Name

3-(9-methyl-8-oxo-8,9-dihydro-7H-purin-7-yl)propyl cyanide

IUPAC name

4-(9-methyl-8-oxo-89-dihydro-7H-purin-7-yl)butanenitrile

SMILES

CN(c(ncnc1)c1N1CCCC#N)C1=O

InChI

InChI=1S/C10H11N5O/c1-14-9-8(6-12-7-13-9)15(10(14)16)5-3-2-4-11/h6-7H,2-3,5H2,1H3

InChI Key

WCXMPRPVZLZGRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.421

Distribution Coefficient, logD

-0.421

Water Solubility, LogSw

-0.56

Polar Surface Area

57.191

Acid Dissociation Constant (pKa)

21.55

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

P814-5977 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P814-5977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P814-5977?
Check Price and Availability of P814-5977, 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 P814-5977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P814-5977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P814-5977
  • 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 P814-5977 available by request