5025-0128 Screening compound: ethyl 2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamido]-4-methyl-1,3-thiazole-5-carboxylate

5025-0128 Screening compound: ethyl 2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamido]-4-methyl-1,3-thiazole-5-carboxylate
5025-0128 Screening compound: ethyl 2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamido]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5025-0128
ethyl 2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamido]-4-methyl-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

5025-0128

Molecular Formula

C14H19N3O3S3 (C14 H19 N3 O3 S3)

Compound Name

ethyl 2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamido]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-[2-(45-dihydro-13-thiazol-2-ylsulfanyl)butanamido]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCC(C(Nc1nc(C)c(C(OCC)=O)s1)=O)SC1=NCCS1

InChI

InChI=1S/C14H19N3O3S3/c1-4-9(22-14-15-6-7-21-14)11(18)17-13-16-8(3)10(23-13)12(19)20-5-2/h9H,4-7H2,1-3H3,(H,16,17,18)/t9-/m0/s1

InChI Key

SRIJULVVIFOWGE-VIFPVBQESA-N

MDL Number (MFCD)

MFCD03197232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.698

Distribution Coefficient, logD

3.582

Water Solubility, LogSw

-3.76

Polar Surface Area

64.420

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

5025-0128 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 5025-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5025-0128?
Check Price and Availability of 5025-0128, 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 5025-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5025-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5025-0128
  • 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 5025-0128 available by request