3333-4166 Screening compound: ethyl 2-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}-4-phenyl-1,3-thiazole-5-carboxylate

3333-4166 Screening compound: ethyl 2-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}-4-phenyl-1,3-thiazole-5-carboxylate
3333-4166 Screening compound: ethyl 2-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}-4-phenyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3333-4166
ethyl 2-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}-4-phenyl-1,3-thiazole-5-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

3333-4166

Molecular Formula

C26H29N3O5S2 (C26 H29 N3 O5 S2)

Compound Name

ethyl 2-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}-4-phenyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-{4-[(35-dimethylpiperidin-1-yl)sulfonyl]benzamido}-4-phenyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(-c2ccccc2)nc(NC(c(cc2)ccc2S(N2CC(C)CC(C)C2)(=O)=O)=O)s1)=O

InChI

InChI=1S/C26H29N3O5S2/c1-4-34-25(31)23-22(19-8-6-5-7-9-19)27-26(35-23)28-24(30)20-10-12-21(13-11-20)36(32,33)29-15-17(2)14-18(3)16-29/h5-13,17-18H,4,14-16H2,1-3H3,(H,27,28,30)

InChI Key

IJOCZZCNCZBLNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04415097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.550

Distribution Coefficient, logD

5.536

Water Solubility, LogSw

-5.54

Polar Surface Area

86.206

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.60

3333-4166 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3333-4166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3333-4166?
Check Price and Availability of 3333-4166, 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 3333-4166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3333-4166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3333-4166
  • 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 3333-4166 available by request