G778-1087 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(3-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide

G778-1087 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(3-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
G778-1087 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-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 G778-1087
N-(6-ethoxy-1,3-benzothiazol-2-yl)-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

G778-1087

Molecular Formula

C22H16FN5O4S (C22 H16 FN5 O4 S)

Compound Name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(3-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide

IUPAC name

N-(6-ethoxy-13-benzothiazol-2-yl)-2-[3-(3-fluorophenyl)-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidin-5-yl]acetamide

SMILES

CCOc(cc1)cc2c1nc(NC(CN(C=Nc1c3c(-c4cc(F)ccc4)no1)C3=O)=O)s2

InChI

InChI=1S/C22H16FN5O4S/c1-2-31-14-6-7-15-16(9-14)33-22(25-15)26-17(29)10-28-11-24-20-18(21(28)30)19(27-32-20)12-4-3-5-13(23)8-12/h3-9,11H,2,10H2,1H3,(H,25,26,29)

InChI Key

LAZNEOLXXMSILO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15035344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.750

Distribution Coefficient, logD

3.750

Water Solubility, LogSw

-4.15

Polar Surface Area

87.736

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G778-1087 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G778-1087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G778-1087?
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What is the minimum amount of G778-1087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G778-1087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G778-1087
  • 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 G778-1087 available by request