1716-1805 Screening compound: cyclohexyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1716-1805 Screening compound: cyclohexyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1716-1805 Screening compound: cyclohexyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1716-1805
cyclohexyl 4-(2,3-dimethoxyphenyl)-2-methyl-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

1716-1805

Molecular Formula

C25H31NO5 (C25 H31 NO5)

Compound Name

cyclohexyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

cyclohexyl 4-(23-dimethoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CCC1)=C(C2c(cccc3OC)c3OC)C1=O)=C2C(OC1CCCCC1)=O

InChI

InChI=1S/C25H31NO5/c1-15-21(25(28)31-16-9-5-4-6-10-16)22(23-18(26-15)12-8-13-19(23)27)17-11-7-14-20(29-2)24(17)30-3/h7,11,14,16,22,26H,4-6,8-10,12-13H2,1-3H3/t22-/m0/s1

InChI Key

GIURNMXGBOXESZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00753303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.812

Distribution Coefficient, logD

0.916

Water Solubility, LogSw

-4.67

Polar Surface Area

59.353

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

1716-1805 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1716-1805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1716-1805?
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What is the minimum amount of 1716-1805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1805
  • 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 1716-1805 available by request