4988-0422 Screening compound: (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-ethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-4-one

4988-0422 Screening compound: (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-ethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-4-one
4988-0422 Screening compound: (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-ethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4988-0422
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-ethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-4-one

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

4988-0422

Molecular Formula

C18H23N3O3S (C18 H23 N3 O3 S)

Compound Name

(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-ethylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-4-one

IUPAC name

(5Z)-5-[(24-dimethoxyphenyl)methylidene]-2-(4-ethylpiperazin-1-yl)-45-dihydro-13-thiazol-4-one

SMILES

CCN(CC1)CCN1C(S/C1=C\c(ccc(OC)c2)c2OC)=NC1=O

InChI

InChI=1S/C18H23N3O3S/c1-4-20-7-9-21(10-8-20)18-19-17(22)16(25-18)11-13-5-6-14(23-2)12-15(13)24-3/h5-6,11-12H,4,7-10H2,1-3H3

InChI Key

VEHGVJOOAMNQMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09539072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.547

Distribution Coefficient, logD

1.686

Water Solubility, LogSw

-2.84

Polar Surface Area

44.306

Acid Dissociation Constant (pKa)

30.35

Base Dissociation Constant (pKb)

8.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with 4988-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4988-0422?
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What is the minimum amount of 4988-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4988-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4988-0422
  • 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 4988-0422 available by request