Y501-5453 Screening compound: 5-benzyl-2-({3-[(2-chlorophenoxy)methyl]-4-methoxybenzoyl}amino)-3-thiophenecarboxamide

Y501-5453 Screening compound: 5-benzyl-2-({3-[(2-chlorophenoxy)methyl]-4-methoxybenzoyl}amino)-3-thiophenecarboxamide
Y501-5453 Screening compound: 5-benzyl-2-({3-[(2-chlorophenoxy)methyl]-4-methoxybenzoyl}amino)-3-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-5453
5-benzyl-2-({3-[(2-chlorophenoxy)methyl]-4-methoxybenzoyl}amino)-3-thiophenecarboxamide

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

Y501-5453

Molecular Formula

C27H23ClN2O4S (C27 H23 ClN2 O4 S)

Compound Name

5-benzyl-2-({3-[(2-chlorophenoxy)methyl]-4-methoxybenzoyl}amino)-3-thiophenecarboxamide

IUPAC name

5-benzyl-2-{3-[(2-chlorophenoxy)methyl]-4-methoxybenzamido}thiophene-3-carboxamide

SMILES

COc(cc1)c(COc(cccc2)c2Cl)cc1C(Nc(sc(Cc1ccccc1)c1)c1C(N)=O)=O

InChI

InChI=1S/C27H23ClN2O4S/c1-33-23-12-11-18(14-19(23)16-34-24-10-6-5-9-22(24)28)26(32)30-27-21(25(29)31)15-20(35-27)13-17-7-3-2-4-8-17/h2-12,14-15H,13,16H2,1H3,(H2,29,31)(H,30,32)

InChI Key

QSXAZCOREUXJHZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.171

Distribution Coefficient, logD

4.817

Water Solubility, LogSw

-5.47

Polar Surface Area

71.856

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

Y501-5453 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 Y501-5453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-5453?
Check Price and Availability of Y501-5453, 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 Y501-5453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-5453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-5453
  • 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 Y501-5453 available by request