1403-0054 Screening compound: 2-[(5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide

1403-0054 Screening compound: 2-[(5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide
1403-0054 Screening compound: 2-[(5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1403-0054
2-[(5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-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

1403-0054

Molecular Formula

C17H17N3O2S (C17 H17 N3 O2 S)

Compound Name

2-[(5-acetyl-3-cyano-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide

IUPAC name

n/a

SMILES

CC(C(C1c2ccccc2)=C(C)NC(SCC(N)=O)=C1C#N)=O

InChI

InChI=1S/C17H17N3O2S/c1-10-15(11(2)21)16(12-6-4-3-5-7-12)13(8-18)17(20-10)23-9-14(19)22/h3-7,16,20H,9H2,1-2H3,(H2,19,22)/t16-/m0/s1

InChI Key

YMCYXHWRGNWJLP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01245589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.477

Distribution Coefficient, logD

-0.752

Water Solubility, LogSw

-2.19

Polar Surface Area

74.317

Acid Dissociation Constant (pKa)

5.17

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

1403-0054 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1403-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1403-0054?
Check Price and Availability of 1403-0054, 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 1403-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1403-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1403-0054
  • 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 1403-0054 available by request