G597-0131 Screening compound: N-[2-(1-cyclohexenyl)ethyl]-2-[3-methyl-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]acetamide

G597-0131 Screening compound: N-[2-(1-cyclohexenyl)ethyl]-2-[3-methyl-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]acetamide
G597-0131 Screening compound: N-[2-(1-cyclohexenyl)ethyl]-2-[3-methyl-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G597-0131
N-[2-(1-cyclohexenyl)ethyl]-2-[3-methyl-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]acetamide

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

G597-0131

Molecular Formula

C16H20N4O3 (C16 H20 N4 O3)

Compound Name

N-[2-(1-cyclohexenyl)ethyl]-2-[3-methyl-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{3-methyl-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidin-5-yl}acetamide

SMILES

Cc1noc(N=CN2CC(NCCC3=CCCCC3)=O)c1C2=O

InChI

InChI=1S/C16H20N4O3/c1-11-14-15(23-19-11)18-10-20(16(14)22)9-13(21)17-8-7-12-5-3-2-4-6-12/h5,10H,2-4,6-9H2,1H3,(H,17,21)

InChI Key

JDHDSJHUMQPDPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.656

Distribution Coefficient, logD

0.656

Water Solubility, LogSw

-1.32

Polar Surface Area

72.285

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G597-0131 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G597-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G597-0131?
Check Price and Availability of G597-0131, 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 G597-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G597-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G597-0131
  • 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 G597-0131 available by request