1630-0767 Screening compound: ethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-0767 Screening compound: ethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-0767 Screening compound: ethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0767
ethyl 2-methyl-4-(4-nitrophenyl)-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

1630-0767

Molecular Formula

C19H20N2O5 (C19 H20 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C1c(cc2)ccc2[N+]([O-])=O)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C19H20N2O5/c1-3-26-19(23)16-11(2)20-14-5-4-6-15(22)18(14)17(16)12-7-9-13(10-8-12)21(24)25/h7-10,17,20H,3-6H2,1-2H3/t17-/m0/s1

InChI Key

YZFVYGFZIGZWMB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00619420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.145

Distribution Coefficient, logD

-0.751

Water Solubility, LogSw

-3.49

Polar Surface Area

78.056

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

1630-0767 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 1630-0767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0767?
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What is the minimum amount of 1630-0767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0767
  • 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 1630-0767 available by request