G805-0890 Screening compound: 1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

G805-0890 Screening compound: 1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
G805-0890 Screening compound: 1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G805-0890
1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

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

G805-0890

Molecular Formula

C18H20N4O5S2 (C18 H20 N4 O5 S2)

Compound Name

1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

IUPAC name

1-[(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]-N-(13-thiazol-2-yl)piperidine-4-carboxamide

SMILES

Cc(cc(c(OC1)c2)NC1=O)c2S(N(CC1)CCC1C(Nc1nccs1)=O)(=O)=O

InChI

InChI=1S/C18H20N4O5S2/c1-11-8-13-14(27-10-16(23)20-13)9-15(11)29(25,26)22-5-2-12(3-6-22)17(24)21-18-19-4-7-28-18/h4,7-9,12H,2-3,5-6,10H2,1H3,(H,20,23)(H,19,21,24)

InChI Key

XMLJRMCMLLYEBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.119

Distribution Coefficient, logD

1.116

Water Solubility, LogSw

-2.36

Polar Surface Area

98.789

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

G805-0890 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G805-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G805-0890?
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What is the minimum amount of G805-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G805-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G805-0890
  • 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 G805-0890 available by request