2326-3135 Screening compound: methyl 7-(2-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2326-3135 Screening compound: methyl 7-(2-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2326-3135 Screening compound: methyl 7-(2-chlorophenyl)-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 2326-3135
methyl 7-(2-chlorophenyl)-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

2326-3135

Molecular Formula

C24H21ClN2O5 (C24 H21 ClN2 O5)

Compound Name

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

IUPAC name

methyl 7-(2-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c(cccc2)c2Cl)=C(C2c(cc3)ccc3[N+]([O-])=O)C1=O)=C2C(OC)=O

InChI

InChI=1S/C24H21ClN2O5/c1-13-21(24(29)32-2)22(14-7-9-16(10-8-14)27(30)31)23-19(26-13)11-15(12-20(23)28)17-5-3-4-6-18(17)25/h3-10,15,22,26H,11-12H2,1-2H3

InChI Key

BIKHHFRQGNGXMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.89

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

4.978

Distribution Coefficient, logD

0.498

Water Solubility, LogSw

-5.29

Polar Surface Area

78.205

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

2326-3135 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 2326-3135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2326-3135?
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What is the minimum amount of 2326-3135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2326-3135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2326-3135
  • 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 2326-3135 available by request