1630-0667 Screening compound: ethyl 4-(2,4-dimethoxyphenyl)-2-ethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-0667 Screening compound: ethyl 4-(2,4-dimethoxyphenyl)-2-ethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-0667 Screening compound: ethyl 4-(2,4-dimethoxyphenyl)-2-ethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0667
ethyl 4-(2,4-dimethoxyphenyl)-2-ethyl-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

1630-0667

Molecular Formula

C22H27NO5 (C22 H27 NO5)

Compound Name

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

IUPAC name

ethyl 4-(24-dimethoxyphenyl)-2-ethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCC(NC(CCC1)=C(C2c(ccc(OC)c3)c3OC)C1=O)=C2C(OCC)=O

InChI

InChI=1S/C22H27NO5/c1-5-15-21(22(25)28-6-2)19(20-16(23-15)8-7-9-17(20)24)14-11-10-13(26-3)12-18(14)27-4/h10-12,19,23H,5-9H2,1-4H3/t19-/m1/s1

InChI Key

ROULZCFEZUNMTG-LJQANCHMSA-N

MDL Number (MFCD)

MFCD00344273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.935

Distribution Coefficient, logD

-0.213

Water Solubility, LogSw

-4.15

Polar Surface Area

60.456

Acid Dissociation Constant (pKa)

3.25

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

1630-0667 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 1630-0667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0667?
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What is the minimum amount of 1630-0667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0667
  • 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 1630-0667 available by request