Y040-3168 Screening compound: N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

Y040-3168 Screening compound: N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
Y040-3168 Screening compound: N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3168
N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

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

Y040-3168

Molecular Formula

C19H16N4O2S (C19 H16 N4 O2 S)

Compound Name

N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

IUPAC name

N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-13-thiazol-2-yl]pyridine-2-carboxamide

SMILES

Cc1c(-c2csc(NC(c3ncccc3)=O)n2)c(cc(cc2)OC)c2[nH]1

InChI

InChI=1S/C19H16N4O2S/c1-11-17(13-9-12(25-2)6-7-14(13)21-11)16-10-26-19(22-16)23-18(24)15-5-3-4-8-20-15/h3-10,21H,1-2H3,(H,22,23,24)

InChI Key

DAUXEWLEUGKJHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08751298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.914

Distribution Coefficient, logD

3.913

Water Solubility, LogSw

-4.39

Polar Surface Area

59.622

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

Y040-3168 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

BRD4 Targeted Library (4534 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Others
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y040-3168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3168?
Check Price and Availability of Y040-3168, 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 Y040-3168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3168
  • 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 Y040-3168 available by request