2398-3551 Screening compound: (oxolan-2-yl)methyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2398-3551 Screening compound: (oxolan-2-yl)methyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2398-3551 Screening compound: (oxolan-2-yl)methyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2398-3551
(oxolan-2-yl)methyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-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

2398-3551

Molecular Formula

C25H31NO6 (C25 H31 NO6)

Compound Name

(oxolan-2-yl)methyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

(oxolan-2-yl)methyl 4-(4-hydroxy-3-methoxyphenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)(C1)CC(NC(C)=C(C2c(cc3)cc(OC)c3O)C(OCC3OCCC3)=O)=C2C1=O

InChI

InChI=1S/C25H31NO6/c1-14-21(24(29)32-13-16-6-5-9-31-16)22(15-7-8-18(27)20(10-15)30-4)23-17(26-14)11-25(2,3)12-19(23)28/h7-8,10,16,22,26-27H,5-6,9,11-13H2,1-4H3

InChI Key

UGNSBCMBXJAMMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

-1.648

Water Solubility, LogSw

-2.81

Polar Surface Area

77.612

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.00

2398-3551 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 2398-3551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2398-3551?
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What is the minimum amount of 2398-3551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2398-3551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2398-3551
  • 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 2398-3551 available by request