G803-1082 Screening compound: N-butyl-N-methyl-N-[3-(4-methylphenyl)isoxazolo[5,4-d]pyrimidin-4-yl]amine

G803-1082 Screening compound: N-butyl-N-methyl-N-[3-(4-methylphenyl)isoxazolo[5,4-d]pyrimidin-4-yl]amine
G803-1082 Screening compound: N-butyl-N-methyl-N-[3-(4-methylphenyl)isoxazolo[5,4-d]pyrimidin-4-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G803-1082
N-butyl-N-methyl-N-[3-(4-methylphenyl)isoxazolo[5,4-d]pyrimidin-4-yl]amine

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

G803-1082

Molecular Formula

C17H20N4O (C17 H20 N4 O)

Compound Name

N-butyl-N-methyl-N-[3-(4-methylphenyl)isoxazolo[5,4-d]pyrimidin-4-yl]amine

IUPAC name

n/a

SMILES

CCCCN(C)c1c(c(-c2ccc(C)cc2)no2)c2ncn1

InChI

InChI=1S/C17H20N4O/c1-4-5-10-21(3)16-14-15(13-8-6-12(2)7-9-13)20-22-17(14)19-11-18-16/h6-9,11H,4-5,10H2,1-3H3

InChI Key

HZOJGKWSWFAVDX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.963

Distribution Coefficient, logD

3.963

Water Solubility, LogSw

-4.09

Polar Surface Area

45.287

Acid Dissociation Constant (pKa)

21.70

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

G803-1082 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G803-1082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G803-1082?
Check Price and Availability of G803-1082, 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 G803-1082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G803-1082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G803-1082
  • 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 G803-1082 available by request