Y200-0044 Screening compound: propan-2-yl 4-{[1,1'-biphenyl]-4-yl}-2-(pyridine-4-amido)thiophene-3-carboxylate

Y200-0044 Screening compound: propan-2-yl 4-{[1,1'-biphenyl]-4-yl}-2-(pyridine-4-amido)thiophene-3-carboxylate
Y200-0044 Screening compound: propan-2-yl 4-{[1,1'-biphenyl]-4-yl}-2-(pyridine-4-amido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-0044
propan-2-yl 4-{[1,1'-biphenyl]-4-yl}-2-(pyridine-4-amido)thiophene-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

Y200-0044

Molecular Formula

C26H22N2O3S (C26 H22 N2 O3 S)

Compound Name

propan-2-yl 4-{[1,1'-biphenyl]-4-yl}-2-(pyridine-4-amido)thiophene-3-carboxylate

IUPAC name

propan-2-yl 4-{[11'-biphenyl]-4-yl}-2-(pyridine-4-amido)thiophene-3-carboxylate

SMILES

CC(C)OC(c1c(NC(c2ccncc2)=O)scc1-c(cc1)ccc1-c1ccccc1)=O

InChI

InChI=1S/C26H22N2O3S/c1-17(2)31-26(30)23-22(16-32-25(23)28-24(29)21-12-14-27-15-13-21)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-17H,1-2H3,(H,28,29)

InChI Key

SMJHKENZKBDAJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02372634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.647

Distribution Coefficient, logD

4.831

Water Solubility, LogSw

-5.52

Polar Surface Area

52.442

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

Y200-0044 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Proteases
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y200-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-0044?
Check Price and Availability of Y200-0044, 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 Y200-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-0044
  • 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 Y200-0044 available by request