3028-4981 Screening compound: propyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3028-4981 Screening compound: propyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3028-4981 Screening compound: propyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3028-4981
propyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-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

3028-4981

Molecular Formula

C30H35NO5 (C30 H35 NO5)

Compound Name

propyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

propyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCOC(C(C1c(cccc2)c2OC(C)C)=C(C)NC(CC(C2)c(cc3)ccc3OC)=C1C2=O)=O

InChI

InChI=1S/C30H35NO5/c1-6-15-35-30(33)27-19(4)31-24-16-21(20-11-13-22(34-5)14-12-20)17-25(32)29(24)28(27)23-9-7-8-10-26(23)36-18(2)3/h7-14,18,21,28,31H,6,15-17H2,1-5H3

InChI Key

ZHJORMNPSIMQCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.289

Distribution Coefficient, logD

1.808

Water Solubility, LogSw

-5.60

Polar Surface Area

59.131

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

3028-4981 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3028-4981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3028-4981?
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What is the minimum amount of 3028-4981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3028-4981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3028-4981
  • 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 3028-4981 available by request