3170-5250 Screening compound: methyl 4,7-bis(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3170-5250 Screening compound: methyl 4,7-bis(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3170-5250 Screening compound: methyl 4,7-bis(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3170-5250
methyl 4,7-bis(3,4-dimethoxyphenyl)-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

3170-5250

Molecular Formula

C28H31NO7 (C28 H31 NO7)

Compound Name

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

IUPAC name

methyl 47-bis(34-dimethoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c(cc2)cc(OC)c2OC)=C(C2c(cc3)cc(OC)c3OC)C1=O)=C2C(OC)=O

InChI

InChI=1S/C28H31NO7/c1-15-25(28(31)36-6)26(17-8-10-22(33-3)24(14-17)35-5)27-19(29-15)11-18(12-20(27)30)16-7-9-21(32-2)23(13-16)34-4/h7-10,13-14,18,26,29H,11-12H2,1-6H3

InChI Key

NKGKOLFIBKPNPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02040622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.732

Distribution Coefficient, logD

-0.748

Water Solubility, LogSw

-4.04

Polar Surface Area

75.345

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

3170-5250 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3170-5250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3170-5250?
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What is the minimum amount of 3170-5250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3170-5250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3170-5250
  • 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 3170-5250 available by request