8013-7111 Screening compound: propan-2-yl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

8013-7111 Screening compound: propan-2-yl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
8013-7111 Screening compound: propan-2-yl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7111
propan-2-yl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-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

8013-7111

Molecular Formula

C30H35NO7 (C30 H35 NO7)

Compound Name

propan-2-yl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

propan-2-yl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(345-trimethoxyphenyl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)OC(C(C1c(cc2OC)cc(OC)c2OC)=C(C)NC(CC(C2)c(cccc3)c3OC)=C1C2=O)=O

InChI

InChI=1S/C30H35NO7/c1-16(2)38-30(33)26-17(3)31-21-12-18(20-10-8-9-11-23(20)34-4)13-22(32)28(21)27(26)19-14-24(35-5)29(37-7)25(15-19)36-6/h8-11,14-16,18,27,31H,12-13H2,1-7H3

InChI Key

HSUUXWMRFCQIIW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.419

Distribution Coefficient, logD

0.939

Water Solubility, LogSw

-5.40

Polar Surface Area

74.691

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8013-7111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7111?
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What is the minimum amount of 8013-7111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7111
  • 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 8013-7111 available by request