8013-7022 Screening compound: 2-(propan-2-yloxy)ethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

8013-7022 Screening compound: 2-(propan-2-yloxy)ethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
8013-7022 Screening compound: 2-(propan-2-yloxy)ethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7022
2-(propan-2-yloxy)ethyl 2-methyl-4-(4-nitrophenyl)-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

8013-7022

Molecular Formula

C26H28N2O6S (C26 H28 N2 O6 S)

Compound Name

2-(propan-2-yloxy)ethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-(propan-2-yloxy)ethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)OCCOC(C(C1c(cc2)ccc2[N+]([O-])=O)=C(C)NC(CC(C2)c3cccs3)=C1C2=O)=O

InChI

InChI=1S/C26H28N2O6S/c1-15(2)33-10-11-34-26(30)23-16(3)27-20-13-18(22-5-4-12-35-22)14-21(29)25(20)24(23)17-6-8-19(9-7-17)28(31)32/h4-9,12,15,18,24,27H,10-11,13-14H2,1-3H3

InChI Key

CSOPWWZXQOWWLI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.408

Distribution Coefficient, logD

0.062

Water Solubility, LogSw

-4.34

Polar Surface Area

86.298

Acid Dissociation Constant (pKa)

3.05

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with 8013-7022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7022?
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What is the minimum amount of 8013-7022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7022
  • 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 8013-7022 available by request