G778-1113 Screening compound: N-benzyl-2-[3-(3-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide

G778-1113 Screening compound: N-benzyl-2-[3-(3-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
G778-1113 Screening compound: N-benzyl-2-[3-(3-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G778-1113
N-benzyl-2-[3-(3-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-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

G778-1113

Molecular Formula

C20H15FN4O3 (C20 H15 FN4 O3)

Compound Name

N-benzyl-2-[3-(3-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide

IUPAC name

N-benzyl-2-[3-(3-fluorophenyl)-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidin-5-yl]acetamide

SMILES

O=C(CN(C=Nc1c2c(-c3cccc(F)c3)no1)C2=O)NCc1ccccc1

InChI

InChI=1S/C20H15FN4O3/c21-15-8-4-7-14(9-15)18-17-19(28-24-18)23-12-25(20(17)27)11-16(26)22-10-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,22,26)

InChI Key

LJTZLIHUJNWNOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15035356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.36

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

2.114

Distribution Coefficient, logD

2.114

Water Solubility, LogSw

-2.84

Polar Surface Area

72.173

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

G778-1113 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G778-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G778-1113?
Check Price and Availability of G778-1113, 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 G778-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G778-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G778-1113
  • 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 G778-1113 available by request