1630-1488 Screening compound: pentyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-1488 Screening compound: pentyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-1488 Screening compound: pentyl 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 1630-1488
pentyl 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

1630-1488

Molecular Formula

C24H31NO5 (C24 H31 NO5)

Compound Name

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

IUPAC name

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

SMILES

CCCCCOC(C(C1c(cc2)cc(OC)c2OC)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C24H31NO5/c1-5-6-7-13-30-24(27)21-15(2)25-17-9-8-10-18(26)23(17)22(21)16-11-12-19(28-3)20(14-16)29-4/h11-12,14,22,25H,5-10,13H2,1-4H3/t22-/m0/s1

InChI Key

FHCNSKCOWHBVLT-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00753280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.51

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

4.409

Distribution Coefficient, logD

0.513

Water Solubility, LogSw

-4.30

Polar Surface Area

60.230

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

1630-1488 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1630-1488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1488?
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What is the minimum amount of 1630-1488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1488
  • 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 1630-1488 available by request