3754-1838 Screening compound: 4-(5-{[(2Z)-4-(ethoxycarbonyl)-5-[(4-methylphenyl)amino]-3-oxo-2,3-dihydrothiophen-2-ylidene]methyl}furan-2-yl)benzoic acid

3754-1838 Screening compound: 4-(5-{[(2Z)-4-(ethoxycarbonyl)-5-[(4-methylphenyl)amino]-3-oxo-2,3-dihydrothiophen-2-ylidene]methyl}furan-2-yl)benzoic acid
3754-1838 Screening compound: 4-(5-{[(2Z)-4-(ethoxycarbonyl)-5-[(4-methylphenyl)amino]-3-oxo-2,3-dihydrothiophen-2-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3754-1838
4-(5-{[(2Z)-4-(ethoxycarbonyl)-5-[(4-methylphenyl)amino]-3-oxo-2,3-dihydrothiophen-2-ylidene]methyl}furan-2-yl)benzoic acid

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

3754-1838

Molecular Formula

C26H21NO6S (C26 H21 NO6 S)

Compound Name

4-(5-{[(2Z)-4-(ethoxycarbonyl)-5-[(4-methylphenyl)amino]-3-oxo-2,3-dihydrothiophen-2-ylidene]methyl}furan-2-yl)benzoic acid

IUPAC name

4-(5-{[(2Z)-4-(ethoxycarbonyl)-5-[(4-methylphenyl)amino]-3-oxo-23-dihydrothiophen-2-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

CCOC(C(C1=O)=C(Nc2ccc(C)cc2)S/C1=C\c1ccc(-c(cc2)ccc2C(O)=O)o1)=O

InChI

InChI=1S/C26H21NO6S/c1-3-32-26(31)22-23(28)21(34-24(22)27-18-10-4-15(2)5-11-18)14-19-12-13-20(33-19)16-6-8-17(9-7-16)25(29)30/h4-14,27H,3H2,1-2H3,(H,29,30)

InChI Key

AORIUDFWAPONGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02803055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.567

Distribution Coefficient, logD

2.839

Water Solubility, LogSw

-5.61

Polar Surface Area

78.095

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

3754-1838 in Drug Discovery

Included in Screening Libraries

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 3754-1838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3754-1838?
Check Price and Availability of 3754-1838, 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 3754-1838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3754-1838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3754-1838
  • 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 3754-1838 available by request