2786-4505 Screening compound: methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

2786-4505 Screening compound: methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
2786-4505 Screening compound: methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2786-4505
methyl 4-(2-bromophenyl)-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

2786-4505

Molecular Formula

C14H14BrNO3 (C14 H14 BrNO3)

Compound Name

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

IUPAC name

methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CC(NC(CC1c(cccc2)c2Br)=O)=C1C(OC)=O

InChI

InChI=1S/C14H14BrNO3/c1-8-13(14(18)19-2)10(7-12(17)16-8)9-5-3-4-6-11(9)15/h3-6,10H,7H2,1-2H3,(H,16,17)/t10-/m0/s1

InChI Key

VDAQHVVUIKHWEP-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01823451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.17

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.256

Distribution Coefficient, logD

1.457

Water Solubility, LogSw

-2.83

Polar Surface Area

45.613

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

2786-4505 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Inflammatory Library (24602 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 2786-4505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2786-4505?
Check Price and Availability of 2786-4505, 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 2786-4505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2786-4505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2786-4505
  • 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 2786-4505 available by request