P814-6557 Screening compound: 3-(3,5-dimethyl-4-isoxazolyl)-N~1~-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]propanamide

P814-6557 Screening compound: 3-(3,5-dimethyl-4-isoxazolyl)-N~1~-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]propanamide
P814-6557 Screening compound: 3-(3,5-dimethyl-4-isoxazolyl)-N~1~-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P814-6557
3-(3,5-dimethyl-4-isoxazolyl)-N~1~-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]propanamide

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

P814-6557

Molecular Formula

C15H18N6O3 (C15 H18 N6 O3)

Compound Name

3-(3,5-dimethyl-4-isoxazolyl)-N~1~-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]propanamide

IUPAC name

n/a

SMILES

Cc1noc(C)c1CCC(NCCN(c(ncnc1)c1N1)C1=O)=O

InChI

InChI=1S/C15H18N6O3/c1-9-11(10(2)24-20-9)3-4-13(22)17-5-6-21-14-12(19-15(21)23)7-16-8-18-14/h7-8H,3-6H2,1-2H3,(H,17,22)(H,19,23)

InChI Key

MXGDMNJTCKBNOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.096

Distribution Coefficient, logD

0.096

Water Solubility, LogSw

-1.55

Polar Surface Area

94.955

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

P814-6557 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P814-6557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P814-6557?
Check Price and Availability of P814-6557, 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 P814-6557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P814-6557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P814-6557
  • 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 P814-6557 available by request