4101-0018 Screening compound: ETHYL 2-[2-(4,5-DIHYDRO-1,3-THIAZOL-2-YLSULFANYL)ACETAMIDO]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE

4101-0018 Screening compound: ETHYL 2-[2-(4,5-DIHYDRO-1,3-THIAZOL-2-YLSULFANYL)ACETAMIDO]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE
4101-0018 Screening compound: ETHYL 2-[2-(4,5-DIHYDRO-1,3-THIAZOL-2-YLSULFANYL)ACETAMIDO]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4101-0018
ETHYL 2-[2-(4,5-DIHYDRO-1,3-THIAZOL-2-YLSULFANYL)ACETAMIDO]-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

4101-0018

Molecular Formula

C12H15N3O3S3 (C12 H15 N3 O3 S3)

Compound Name

ETHYL 2-[2-(4,5-DIHYDRO-1,3-THIAZOL-2-YLSULFANYL)ACETAMIDO]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE

IUPAC name

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

SMILES

CCOC(c1c(C)nc(NC(CSC2=NCCS2)=O)s1)=O

InChI

InChI=1S/C12H15N3O3S3/c1-3-18-10(17)9-7(2)14-11(21-9)15-8(16)6-20-12-13-4-5-19-12/h3-6H2,1-2H3,(H,14,15,16)

InChI Key

ZSKAIYCTYLEKSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03136930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.585

Distribution Coefficient, logD

2.540

Water Solubility, LogSw

-2.70

Polar Surface Area

64.207

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4101-0018 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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 4101-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4101-0018?
Check Price and Availability of 4101-0018, 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 4101-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4101-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4101-0018
  • 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 4101-0018 available by request