2729-0534 Screening compound: ethyl 4-{[1,1'-biphenyl]-4-yl}-2-[2-(2-methylphenoxy)acetamido]thiophene-3-carboxylate

2729-0534 Screening compound: ethyl 4-{[1,1'-biphenyl]-4-yl}-2-[2-(2-methylphenoxy)acetamido]thiophene-3-carboxylate
2729-0534 Screening compound: ethyl 4-{[1,1'-biphenyl]-4-yl}-2-[2-(2-methylphenoxy)acetamido]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0534
ethyl 4-{[1,1'-biphenyl]-4-yl}-2-[2-(2-methylphenoxy)acetamido]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

2729-0534

Molecular Formula

C28H25NO4S (C28 H25 NO4 S)

Compound Name

ethyl 4-{[1,1'-biphenyl]-4-yl}-2-[2-(2-methylphenoxy)acetamido]thiophene-3-carboxylate

IUPAC name

ethyl 4-{[11'-biphenyl]-4-yl}-2-[2-(2-methylphenoxy)acetamido]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(COc2c(C)cccc2)=O)scc1-c(cc1)ccc1-c1ccccc1)=O

InChI

InChI=1S/C28H25NO4S/c1-3-32-28(31)26-23(22-15-13-21(14-16-22)20-10-5-4-6-11-20)18-34-27(26)29-25(30)17-33-24-12-8-7-9-19(24)2/h4-16,18H,3,17H2,1-2H3,(H,29,30)

InChI Key

CXNQSKCKDNHEFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01238927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.867

Distribution Coefficient, logD

6.852

Water Solubility, LogSw

-5.92

Polar Surface Area

50.707

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

2729-0534 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2729-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0534?
Check Price and Availability of 2729-0534, 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 2729-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0534
  • 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 2729-0534 available by request