Y041-5108 Screening compound: ethyl 2-(2-{2-[(1-benzofuran-2-yl)formamido]propanamido}-1,3-thiazol-4-yl)acetate

Y041-5108 Screening compound: ethyl 2-(2-{2-[(1-benzofuran-2-yl)formamido]propanamido}-1,3-thiazol-4-yl)acetate
Y041-5108 Screening compound: ethyl 2-(2-{2-[(1-benzofuran-2-yl)formamido]propanamido}-1,3-thiazol-4-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5108
ethyl 2-(2-{2-[(1-benzofuran-2-yl)formamido]propanamido}-1,3-thiazol-4-yl)acetate

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

Y041-5108

Molecular Formula

C19H19N3O5S (C19 H19 N3 O5 S)

Compound Name

ethyl 2-(2-{2-[(1-benzofuran-2-yl)formamido]propanamido}-1,3-thiazol-4-yl)acetate

IUPAC name

ethyl 2-{2-[(2R)-2-[(1-benzofuran-2-yl)formamido]propanamido]-13-thiazol-4-yl}acetate

SMILES

CCOC(Cc1csc(NC([C@@H](C)NC(c2cc(cccc3)c3o2)=O)=O)n1)=O

InChI

InChI=1S/C19H19N3O5S/c1-3-26-16(23)9-13-10-28-19(21-13)22-17(24)11(2)20-18(25)15-8-12-6-4-5-7-14(12)27-15/h4-8,10-11H,3,9H2,1-2H3,(H,20,25)(H,21,22,24)/t11-/m1/s1

InChI Key

LKPWQLJLGPAFQU-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.447

Distribution Coefficient, logD

3.445

Water Solubility, LogSw

-3.73

Polar Surface Area

86.171

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

Y041-5108 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-5108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5108?
Check Price and Availability of Y041-5108, 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 Y041-5108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5108
  • 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 Y041-5108 available by request