Y500-5211 Screening compound: methyl 2-({(E)-3-[4-(tert-butyl)phenyl]-2-propenoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate

Y500-5211 Screening compound: methyl 2-({(E)-3-[4-(tert-butyl)phenyl]-2-propenoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate
Y500-5211 Screening compound: methyl 2-({(E)-3-[4-(tert-butyl)phenyl]-2-propenoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-5211
methyl 2-({(E)-3-[4-(tert-butyl)phenyl]-2-propenoyl}amino)-4-(4-methylphenyl)-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

Y500-5211

Molecular Formula

C26H27NO3S (C26 H27 NO3 S)

Compound Name

methyl 2-({(E)-3-[4-(tert-butyl)phenyl]-2-propenoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate

IUPAC name

methyl 2-[(2E)-3-(4-tert-butylphenyl)prop-2-enamido]-4-(4-methylphenyl)thiophene-3-carboxylate

SMILES

CC(C)(C)c1ccc(/C=C/C(Nc2c(C(OC)=O)c(-c3ccc(C)cc3)cs2)=O)cc1

InChI

InChI=1S/C26H27NO3S/c1-17-6-11-19(12-7-17)21-16-31-24(23(21)25(29)30-5)27-22(28)15-10-18-8-13-20(14-9-18)26(2,3)4/h6-16H,1-5H3,(H,27,28)

InChI Key

RFACNSUJBJYPCO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.287

Distribution Coefficient, logD

7.271

Water Solubility, LogSw

-5.90

Polar Surface Area

43.813

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

Y500-5211 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y500-5211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-5211?
Check Price and Availability of Y500-5211, 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 Y500-5211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-5211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-5211
  • 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 Y500-5211 available by request