8010-0231 Screening compound: 2-methoxyethyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

8010-0231 Screening compound: 2-methoxyethyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
8010-0231 Screening compound: 2-methoxyethyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0231
2-methoxyethyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-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

8010-0231

Molecular Formula

C23H29NO4S (C23 H29 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(NC(C)=C(C2c(cc3)ccc3SC)C(OCCOC)=O)=C2C1=O

InChI

InChI=1S/C23H29NO4S/c1-14-19(22(26)28-11-10-27-4)20(15-6-8-16(29-5)9-7-15)21-17(24-14)12-23(2,3)13-18(21)25/h6-9,20,24H,10-13H2,1-5H3/t20-/m0/s1

InChI Key

OLZWTOPRHIZAJP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01656026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.620

Distribution Coefficient, logD

-0.667

Water Solubility, LogSw

-3.75

Polar Surface Area

53.311

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.83

References: we are preparing a list of scientific research reports with 8010-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0231?
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What is the minimum amount of 8010-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0231
  • 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 8010-0231 available by request