3404-5367 Screening compound: cyclopentyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3404-5367 Screening compound: cyclopentyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3404-5367 Screening compound: cyclopentyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3404-5367
cyclopentyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-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

3404-5367

Molecular Formula

C32H37NO5 (C32 H37 NO5)

Compound Name

cyclopentyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

cyclopentyl 4-[4-(benzyloxy)-3-methoxyphenyl]-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)(C1)CC(NC(C)=C(C2c(cc3)cc(OC)c3OCc3ccccc3)C(OC3CCCC3)=O)=C2C1=O

InChI

InChI=1S/C32H37NO5/c1-20-28(31(35)38-23-12-8-9-13-23)29(30-24(33-20)17-32(2,3)18-25(30)34)22-14-15-26(27(16-22)36-4)37-19-21-10-6-5-7-11-21/h5-7,10-11,14-16,23,29,33H,8-9,12-13,17-19H2,1-4H3/t29-/m0/s1

InChI Key

NBBMVMNUIQDVOB-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD00753162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.790

Distribution Coefficient, logD

1.503

Water Solubility, LogSw

-5.57

Polar Surface Area

59.316

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

3404-5367 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 3404-5367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3404-5367?
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What is the minimum amount of 3404-5367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3404-5367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3404-5367
  • 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 3404-5367 available by request