1630-0781 Screening compound: ethyl 2-methyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-0781 Screening compound: ethyl 2-methyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-0781 Screening compound: ethyl 2-methyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0781
ethyl 2-methyl-5-oxo-4-(pyridin-4-yl)-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

1630-0781

Molecular Formula

C18H20N2O3 (C18 H20 N2 O3)

Compound Name

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

IUPAC name

ethyl 2-methyl-5-oxo-4-(pyridin-4-yl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOC(C(C1c2ccncc2)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C18H20N2O3/c1-3-23-18(22)15-11(2)20-13-5-4-6-14(21)17(13)16(15)12-7-9-19-10-8-12/h7-10,16,20H,3-6H2,1-2H3/t16-/m0/s1

InChI Key

ALOGFTKWHCBMJA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00619432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.061

Distribution Coefficient, logD

-1.834

Water Solubility, LogSw

-2.39

Polar Surface Area

54.103

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 1630-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0781?
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What is the minimum amount of 1630-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0781
  • 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 1630-0781 available by request