G597-0813 Screening compound: 5-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-chlorophenyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

G597-0813 Screening compound: 5-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-chlorophenyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
G597-0813 Screening compound: 5-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-chlorophenyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G597-0813
5-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-chlorophenyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

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

G597-0813

Molecular Formula

C19H19ClN4O3 (C19 H19 ClN4 O3)

Compound Name

5-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-chlorophenyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

IUPAC name

5-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-chlorophenyl)-4H5H-[12]oxazolo[54-d]pyrimidin-4-one

SMILES

O=C(CN(C=Nc1c2c(-c(cc3)ccc3Cl)no1)C2=O)N1CCCCCC1

InChI

InChI=1S/C19H19ClN4O3/c20-14-7-5-13(6-8-14)17-16-18(27-22-17)21-12-24(19(16)26)11-15(25)23-9-3-1-2-4-10-23/h5-8,12H,1-4,9-11H2

InChI Key

LMKKGEAKBGFIMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.368

Distribution Coefficient, logD

2.367

Water Solubility, LogSw

-3.38

Polar Surface Area

64.425

Acid Dissociation Constant (pKa)

25.24

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

G597-0813 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G597-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G597-0813?
Check Price and Availability of G597-0813, 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 G597-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G597-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G597-0813
  • 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 G597-0813 available by request