1494-0242 Screening compound: (2Z)-3-ethyl-N-(naphthalen-1-yl)-4-(4-nitrophenyl)-2,3-dihydro-1,3-thiazol-2-imine

1494-0242 Screening compound: (2Z)-3-ethyl-N-(naphthalen-1-yl)-4-(4-nitrophenyl)-2,3-dihydro-1,3-thiazol-2-imine
1494-0242 Screening compound: (2Z)-3-ethyl-N-(naphthalen-1-yl)-4-(4-nitrophenyl)-2,3-dihydro-1,3-thiazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1494-0242
(2Z)-3-ethyl-N-(naphthalen-1-yl)-4-(4-nitrophenyl)-2,3-dihydro-1,3-thiazol-2-imine

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

1494-0242

Molecular Formula

C21H17N3O2S (C21 H17 N3 O2 S)

Compound Name

(2Z)-3-ethyl-N-(naphthalen-1-yl)-4-(4-nitrophenyl)-2,3-dihydro-1,3-thiazol-2-imine

IUPAC name

(2Z)-3-ethyl-N-(naphthalen-1-yl)-4-(4-nitrophenyl)-23-dihydro-13-thiazol-2-imine

SMILES

CCN(C(c(cc1)ccc1[N+]([O-])=O)=CS1)/C1=N/c1cccc2ccccc12

InChI

InChI=1S/C21H17N3O2S/c1-2-23-20(16-10-12-17(13-11-16)24(25)26)14-27-21(23)22-19-9-5-7-15-6-3-4-8-18(15)19/h3-14H,2H2,1H3

InChI Key

CONKPABEKSWEDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00648520

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.936

Distribution Coefficient, logD

5.936

Water Solubility, LogSw

-6.62

Polar Surface Area

43.712

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

1494-0242 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1494-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1494-0242?
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What is the minimum amount of 1494-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1494-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1494-0242
  • 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 1494-0242 available by request