4323-7163 Screening compound: (oxolan-2-yl)methyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

4323-7163 Screening compound: (oxolan-2-yl)methyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
4323-7163 Screening compound: (oxolan-2-yl)methyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4323-7163
(oxolan-2-yl)methyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-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

4323-7163

Molecular Formula

C28H31NO6S (C28 H31 NO6 S)

Compound Name

(oxolan-2-yl)methyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

(oxolan-2-yl)methyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOc(cc(C1C(C(CC(C2)c3cccs3)=O)=C2NC(C)=C1C(OCC1OCCC1)=O)cc1)c1O

InChI

InChI=1S/C28H31NO6S/c1-3-33-23-14-17(8-9-21(23)30)26-25(28(32)35-15-19-6-4-10-34-19)16(2)29-20-12-18(13-22(31)27(20)26)24-7-5-11-36-24/h5,7-9,11,14,18-19,26,29-30H,3-4,6,10,12-13,15H2,1-2H3

InChI Key

JXWJBPDULVOJNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02868509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.896

Distribution Coefficient, logD

-0.450

Water Solubility, LogSw

-3.56

Polar Surface Area

77.938

Acid Dissociation Constant (pKa)

3.05

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.90

4323-7163 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 4323-7163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4323-7163?
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What is the minimum amount of 4323-7163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4323-7163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4323-7163
  • 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 4323-7163 available by request