4075-3253 Screening compound: ethyl 5-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-3-ethyl-5-methyl-2-oxooxolane-3-carboxylate

4075-3253 Screening compound: ethyl 5-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-3-ethyl-5-methyl-2-oxooxolane-3-carboxylate
4075-3253 Screening compound: ethyl 5-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-3-ethyl-5-methyl-2-oxooxolane-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4075-3253
ethyl 5-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-3-ethyl-5-methyl-2-oxooxolane-3-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

4075-3253

Molecular Formula

C19H21ClN2O4S (C19 H21 ClN2 O4 S)

Compound Name

ethyl 5-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-3-ethyl-5-methyl-2-oxooxolane-3-carboxylate

IUPAC name

ethyl 5-{2-[(2-chlorophenyl)amino]-13-thiazol-4-yl}-3-ethyl-5-methyl-2-oxooxolane-3-carboxylate

SMILES

CCC(CC(C)(c1csc(Nc(cccc2)c2Cl)n1)O1)(C(OCC)=O)C1=O

InChI

InChI=1S/C19H21ClN2O4S/c1-4-19(15(23)25-5-2)11-18(3,26-16(19)24)14-10-27-17(22-14)21-13-9-7-6-8-12(13)20/h6-10H,4-5,11H2,1-3H3,(H,21,22)

InChI Key

HKWSHDBAKRETSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00362942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.259

Distribution Coefficient, logD

5.259

Water Solubility, LogSw

-5.66

Polar Surface Area

59.740

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

4075-3253 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4075-3253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4075-3253?
Check Price and Availability of 4075-3253, 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 4075-3253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4075-3253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4075-3253
  • 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 4075-3253 available by request