4052-1324 Screening compound: (2Z)-3-butyl-4-(4-nitrophenyl)-N-phenyl-2,3-dihydro-1,3-thiazol-2-imine

4052-1324 Screening compound: (2Z)-3-butyl-4-(4-nitrophenyl)-N-phenyl-2,3-dihydro-1,3-thiazol-2-imine
4052-1324 Screening compound: (2Z)-3-butyl-4-(4-nitrophenyl)-N-phenyl-2,3-dihydro-1,3-thiazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-1324
(2Z)-3-butyl-4-(4-nitrophenyl)-N-phenyl-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

4052-1324

Molecular Formula

C19H19N3O2S (C19 H19 N3 O2 S)

Compound Name

(2Z)-3-butyl-4-(4-nitrophenyl)-N-phenyl-2,3-dihydro-1,3-thiazol-2-imine

IUPAC name

(2Z)-3-butyl-4-(4-nitrophenyl)-N-phenyl-23-dihydro-13-thiazol-2-imine

SMILES

CCCCN(C(c(cc1)ccc1[N+]([O-])=O)=CS1)/C1=N/c1ccccc1

InChI

InChI=1S/C19H19N3O2S/c1-2-3-13-21-18(15-9-11-17(12-10-15)22(23)24)14-25-19(21)20-16-7-5-4-6-8-16/h4-12,14H,2-3,13H2,1H3

InChI Key

IJASLMAYUNTSIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03147669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.558

Distribution Coefficient, logD

5.558

Water Solubility, LogSw

-5.46

Polar Surface Area

44.935

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 4052-1324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-1324?
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What is the minimum amount of 4052-1324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-1324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-1324
  • 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 4052-1324 available by request