1630-1342 Screening compound: cyclohexyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-1342 Screening compound: cyclohexyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-1342 Screening compound: cyclohexyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-1342
cyclohexyl 4-(3,4-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

1630-1342

Molecular Formula

C25H31NO5 (C25 H31 NO5)

Compound Name

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

IUPAC name

cyclohexyl 4-(34-dimethoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CCC1)=C(C2c(cc3)cc(OC)c3OC)C1=O)=C2C(OC1CCCCC1)=O

InChI

InChI=1S/C25H31NO5/c1-15-22(25(28)31-17-8-5-4-6-9-17)23(24-18(26-15)10-7-11-19(24)27)16-12-13-20(29-2)21(14-16)30-3/h12-14,17,23,26H,4-11H2,1-3H3/t23-/m0/s1

InChI Key

VFWGDYIJAXYPDF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00717856

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

4.431

Distribution Coefficient, logD

0.536

Water Solubility, LogSw

-4.41

Polar Surface Area

59.266

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

1630-1342 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 1630-1342 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1630-1342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1342
  • 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 1630-1342 available by request