8018-9530 Screening compound: ethyl 3-(2-imino-4-oxo-1,3-thiazolidin-3-yl)-4-methylbenzoate

8018-9530 Screening compound: ethyl 3-(2-imino-4-oxo-1,3-thiazolidin-3-yl)-4-methylbenzoate
8018-9530 Screening compound: ethyl 3-(2-imino-4-oxo-1,3-thiazolidin-3-yl)-4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9530
ethyl 3-(2-imino-4-oxo-1,3-thiazolidin-3-yl)-4-methylbenzoate

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

8018-9530

Molecular Formula

C13H14N2O3S (C13 H14 N2 O3 S)

Compound Name

ethyl 3-(2-imino-4-oxo-1,3-thiazolidin-3-yl)-4-methylbenzoate

IUPAC name

ethyl 3-(2-imino-4-oxo-13-thiazolidin-3-yl)-4-methylbenzoate

SMILES

CCOC(c1cc(N(C(CS2)=O)C2=N)c(C)cc1)=O

InChI

InChI=1S/C13H14N2O3S/c1-3-18-12(17)9-5-4-8(2)10(6-9)15-11(16)7-19-13(15)14/h4-6,14H,3,7H2,1-2H3

InChI Key

QZZJREIXPHPFGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.247

Distribution Coefficient, logD

2.247

Water Solubility, LogSw

-2.61

Polar Surface Area

54.371

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

8018-9530 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-9530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9530?
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What is the minimum amount of 8018-9530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9530
  • 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 8018-9530 available by request