8010-1465 Screening compound: sec-butyl 4-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

8010-1465 Screening compound: sec-butyl 4-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
8010-1465 Screening compound: sec-butyl 4-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1465
sec-butyl 4-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-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

8010-1465

Molecular Formula

C30H35NO4 (C30 H35 NO4)

Compound Name

sec-butyl 4-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

IUPAC name

butan-2-yl 4-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCC(C)OC(C(C1c2ccc(CC)cc2)=C(C)NC(CC(C2)c(cc3)ccc3OC)=C1C2=O)=O

InChI

InChI=1S/C30H35NO4/c1-6-18(3)35-30(33)27-19(4)31-25-16-23(21-12-14-24(34-5)15-13-21)17-26(32)29(25)28(27)22-10-8-20(7-2)9-11-22/h8-15,18,23,28,31H,6-7,16-17H2,1-5H3

InChI Key

VZWAGRHAVHUPEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.142

Distribution Coefficient, logD

2.662

Water Solubility, LogSw

-5.77

Polar Surface Area

51.509

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8010-1465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1465?
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What is the minimum amount of 8010-1465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1465
  • 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 8010-1465 available by request