2398-3571 Screening compound: butan-2-yl 4-(2,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2398-3571 Screening compound: butan-2-yl 4-(2,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2398-3571 Screening compound: butan-2-yl 4-(2,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2398-3571
butan-2-yl 4-(2,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-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

2398-3571

Molecular Formula

C30H35NO6 (C30 H35 NO6)

Compound Name

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

IUPAC name

butan-2-yl 4-(24-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCC(C)OC(C(C1c(ccc(OC)c2)c2OC)=C(C)NC(CC(C2)c(cc3)ccc3OC)=C1C2=O)=O

InChI

InChI=1S/C30H35NO6/c1-7-17(2)37-30(33)27-18(3)31-24-14-20(19-8-10-21(34-4)11-9-19)15-25(32)29(24)28(27)23-13-12-22(35-5)16-26(23)36-6/h8-13,16-17,20,28,31H,7,14-15H2,1-6H3

InChI Key

VWJNVABPOKXZTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.373

Distribution Coefficient, logD

1.893

Water Solubility, LogSw

-5.50

Polar Surface Area

66.684

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.00

2398-3571 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 2398-3571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2398-3571?
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What is the minimum amount of 2398-3571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2398-3571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2398-3571
  • 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 2398-3571 available by request