8011-8641 Screening compound: 2-methoxyethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

8011-8641 Screening compound: 2-methoxyethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
8011-8641 Screening compound: 2-methoxyethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8641
2-methoxyethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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

8011-8641

Molecular Formula

C26H33NO7 (C26 H33 NO7)

Compound Name

2-methoxyethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

IUPAC name

2-methoxyethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOc(cc(C1C(C(CC(C)(C)C2)=O)=C2NC(C)=C1C(OCCOC)=O)cc1)c1OC(C)=O

InChI

InChI=1S/C26H33NO7/c1-7-32-21-12-17(8-9-20(21)34-16(3)28)23-22(25(30)33-11-10-31-6)15(2)27-18-13-26(4,5)14-19(29)24(18)23/h8-9,12,23,27H,7,10-11,13-14H2,1-6H3/t23-/m0/s1

InChI Key

NPTFQZABTNULDX-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02188032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.614

Distribution Coefficient, logD

-1.673

Water Solubility, LogSw

-2.98

Polar Surface Area

81.359

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8011-8641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8641?
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What is the minimum amount of 8011-8641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8641
  • 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 8011-8641 available by request