Y500-2002 Screening compound: ethyl 5-{[4-(ethoxycarbonyl)anilino]carbonyl}-4-methyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate

Y500-2002 Screening compound: ethyl 5-{[4-(ethoxycarbonyl)anilino]carbonyl}-4-methyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate
Y500-2002 Screening compound: ethyl 5-{[4-(ethoxycarbonyl)anilino]carbonyl}-4-methyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-2002
ethyl 5-{[4-(ethoxycarbonyl)anilino]carbonyl}-4-methyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate

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

Y500-2002

Molecular Formula

C26H26N2O6S (C26 H26 N2 O6 S)

Compound Name

ethyl 5-{[4-(ethoxycarbonyl)anilino]carbonyl}-4-methyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate

IUPAC name

ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-(4-methylbenzamido)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2ccc(C)cc2)=O)sc(C(Nc(cc2)ccc2C(OCC)=O)=O)c1C)=O

InChI

InChI=1S/C26H26N2O6S/c1-5-33-25(31)18-11-13-19(14-12-18)27-23(30)21-16(4)20(26(32)34-6-2)24(35-21)28-22(29)17-9-7-15(3)8-10-17/h7-14H,5-6H2,1-4H3,(H,27,30)(H,28,29)

InChI Key

BTXQUQAOJXMHJU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.274

Distribution Coefficient, logD

0.773

Water Solubility, LogSw

-5.34

Polar Surface Area

87.723

Acid Dissociation Constant (pKa)

2.90

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

Y500-2002 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 Y500-2002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-2002?
Check Price and Availability of Y500-2002, 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 Y500-2002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-2002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-2002
  • 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 Y500-2002 available by request