2293-2960 Screening compound: N-(4-bromophenyl)-2-{[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide

2293-2960 Screening compound: N-(4-bromophenyl)-2-{[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
2293-2960 Screening compound: N-(4-bromophenyl)-2-{[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2293-2960
N-(4-bromophenyl)-2-{[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide

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

2293-2960

Molecular Formula

C21H18BrN3O3S (C21 H18 BrN3 O3 S)

Compound Name

N-(4-bromophenyl)-2-{[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide

IUPAC name

N-(4-bromophenyl)-2-{[3-cyano-4-(2-methoxyphenyl)-6-oxo-1456-tetrahydropyridin-2-yl]sulfanyl}acetamide

SMILES

COc1c(C(CC(N2)=O)C(C#N)=C2SCC(Nc(cc2)ccc2Br)=O)cccc1

InChI

InChI=1S/C21H18BrN3O3S/c1-28-18-5-3-2-4-15(18)16-10-19(26)25-21(17(16)11-23)29-12-20(27)24-14-8-6-13(22)7-9-14/h2-9,16H,10,12H2,1H3,(H,24,27)(H,25,26)/t16-/m1/s1

InChI Key

WJBYLGYZBWEPMM-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD01461531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.941

Distribution Coefficient, logD

3.886

Water Solubility, LogSw

-4.13

Polar Surface Area

71.695

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

2293-2960 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2293-2960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2293-2960?
Check Price and Availability of 2293-2960, 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 2293-2960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2293-2960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2293-2960
  • 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 2293-2960 available by request