G189-2105 Screening compound: ethyl 5-[4-methoxy-3-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)phenyl]-1,2-oxazole-3-carboxylate

G189-2105 Screening compound: ethyl 5-[4-methoxy-3-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)phenyl]-1,2-oxazole-3-carboxylate
G189-2105 Screening compound: ethyl 5-[4-methoxy-3-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)phenyl]-1,2-oxazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G189-2105
ethyl 5-[4-methoxy-3-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)phenyl]-1,2-oxazole-3-carboxylate

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

G189-2105

Molecular Formula

C22H22N2O6S (C22 H22 N2 O6 S)

Compound Name

ethyl 5-[4-methoxy-3-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)phenyl]-1,2-oxazole-3-carboxylate

IUPAC name

ethyl 5-[4-methoxy-3-(1234-tetrahydroquinoline-1-sulfonyl)phenyl]-12-oxazole-3-carboxylate

SMILES

CCOC(c1noc(-c(cc2)cc(S(N(CCC3)c4c3cccc4)(=O)=O)c2OC)c1)=O

InChI

InChI=1S/C22H22N2O6S/c1-3-29-22(25)17-14-20(30-23-17)16-10-11-19(28-2)21(13-16)31(26,27)24-12-6-8-15-7-4-5-9-18(15)24/h4-5,7,9-11,13-14H,3,6,8,12H2,1-2H3

InChI Key

ZLEASXNSULOLQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14982940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.722

Distribution Coefficient, logD

3.722

Water Solubility, LogSw

-3.98

Polar Surface Area

81.310

Acid Dissociation Constant (pKa)

24.75

Base Dissociation Constant (pKb)

-7.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G189-2105 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G189-2105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G189-2105?
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What is the minimum amount of G189-2105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G189-2105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G189-2105
  • 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 G189-2105 available by request