2326-3299 Screening compound: methyl 2-methyl-5-oxo-7-phenyl-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2326-3299 Screening compound: methyl 2-methyl-5-oxo-7-phenyl-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2326-3299 Screening compound: methyl 2-methyl-5-oxo-7-phenyl-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2326-3299
methyl 2-methyl-5-oxo-7-phenyl-4-[2-(propan-2-yloxy)phenyl]-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

2326-3299

Molecular Formula

C27H29NO4 (C27 H29 NO4)

Compound Name

methyl 2-methyl-5-oxo-7-phenyl-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

methyl 2-methyl-5-oxo-7-phenyl-4-[2-(propan-2-yloxy)phenyl]-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)Oc1c(C2C(C(CC(C3)c4ccccc4)=O)=C3NC(C)=C2C(OC)=O)cccc1

InChI

InChI=1S/C27H29NO4/c1-16(2)32-23-13-9-8-12-20(23)25-24(27(30)31-4)17(3)28-21-14-19(15-22(29)26(21)25)18-10-6-5-7-11-18/h5-13,16,19,25,28H,14-15H2,1-4H3

InChI Key

DFPGCFXBBZYONE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00771243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.358

Distribution Coefficient, logD

0.878

Water Solubility, LogSw

-5.40

Polar Surface Area

51.713

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

2326-3299 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 2326-3299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2326-3299?
Check Price and Availability of 2326-3299, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2326-3299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2326-3299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2326-3299
  • 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 2326-3299 available by request