4737-7470 Screening compound: methyl 4-(3-bromo-4,5-diethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

4737-7470 Screening compound: methyl 4-(3-bromo-4,5-diethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
4737-7470 Screening compound: methyl 4-(3-bromo-4,5-diethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4737-7470
methyl 4-(3-bromo-4,5-diethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-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

4737-7470

Molecular Formula

C18H22BrNO5 (C18 H22 BrNO5)

Compound Name

methyl 4-(3-bromo-4,5-diethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

IUPAC name

methyl 4-(3-bromo-45-diethoxyphenyl)-2-methyl-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CCOc1cc(C(C2)C(C(OC)=O)=C(C)NC2=O)cc(Br)c1OCC

InChI

InChI=1S/C18H22BrNO5/c1-5-24-14-8-11(7-13(19)17(14)25-6-2)12-9-15(21)20-10(3)16(12)18(22)23-4/h7-8,12H,5-6,9H2,1-4H3,(H,20,21)/t12-/m0/s1

InChI Key

PBIWHUIBILIWDW-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03145296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.861

Distribution Coefficient, logD

1.921

Water Solubility, LogSw

-3.07

Polar Surface Area

60.120

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

4737-7470 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4737-7470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4737-7470?
Check Price and Availability of 4737-7470, 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 4737-7470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4737-7470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4737-7470
  • 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 4737-7470 available by request