Y010-0457 Screening compound: methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-4H,8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate

Y010-0457 Screening compound: methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-4H,8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate
Y010-0457 Screening compound: methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-4H,8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0457
methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-4H,8H-pyrido[2,1-b][1,3]thiazine-2-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

Y010-0457

Molecular Formula

C20H18N4O4S (C20 H18 N4 O4 S)

Compound Name

methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-4H,8H-pyrido[2,1-b][1,3]thiazine-2-carboxylate

IUPAC name

methyl 6-amino-7-cyano-9-(dimethylcarbamoyl)-4-oxo-8-phenyl-4H8H-pyrido[21-b][13]thiazine-2-carboxylate

SMILES

CN(C)C(C(C(c1ccccc1)C(C#N)=C(N)N12)=C1SC(C(OC)=O)=CC2=O)=O

InChI

InChI=1S/C20H18N4O4S/c1-23(2)18(26)16-15(11-7-5-4-6-8-11)12(10-21)17(22)24-14(25)9-13(20(27)28-3)29-19(16)24/h4-9,15H,22H2,1-3H3/t15-/m0/s1

InChI Key

JWLSYCMRYIJGLO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06244065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.646

Distribution Coefficient, logD

0.646

Water Solubility, LogSw

-1.62

Polar Surface Area

90.704

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

Y010-0457 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y010-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0457?
Check Price and Availability of Y010-0457, 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 Y010-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0457
  • 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 Y010-0457 available by request