2732-4410 Screening compound: (4-methoxyphenyl)methyl 2-methyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2732-4410 Screening compound: (4-methoxyphenyl)methyl 2-methyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2732-4410 Screening compound: (4-methoxyphenyl)methyl 2-methyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2732-4410
(4-methoxyphenyl)methyl 2-methyl-4-(2-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

2732-4410

Molecular Formula

C25H24N2O6 (C25 H24 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(CCC1)=C(C2c(cccc3)c3[N+]([O-])=O)C1=O)=C2C(OCc(cc1)ccc1OC)=O

InChI

InChI=1S/C25H24N2O6/c1-15-22(25(29)33-14-16-10-12-17(32-2)13-11-16)23(18-6-3-4-8-20(18)27(30)31)24-19(26-15)7-5-9-21(24)28/h3-4,6,8,10-13,23,26H,5,7,9,14H2,1-2H3/t23-/m0/s1

InChI Key

XQVCRZXCOWXCHU-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01823504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.173

Distribution Coefficient, logD

0.535

Water Solubility, LogSw

-4.59

Polar Surface Area

85.403

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

2732-4410 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2732-4410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2732-4410?
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What is the minimum amount of 2732-4410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2732-4410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2732-4410
  • 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 2732-4410 available by request