4052-1304 Screening compound: (2Z)-N,4-bis(4-methylphenyl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-imine

4052-1304 Screening compound: (2Z)-N,4-bis(4-methylphenyl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-imine
4052-1304 Screening compound: (2Z)-N,4-bis(4-methylphenyl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-1304
(2Z)-N,4-bis(4-methylphenyl)-3-(prop-2-en-1-yl)-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

4052-1304

Molecular Formula

C20H20N2S (C20 H20 N2 S)

Compound Name

(2Z)-N,4-bis(4-methylphenyl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-imine

IUPAC name

(2Z)-N4-bis(4-methylphenyl)-3-(prop-2-en-1-yl)-23-dihydro-13-thiazol-2-imine

SMILES

Cc(cc1)ccc1C(N1CC=C)=CS/C1=N\c1ccc(C)cc1

InChI

InChI=1S/C20H20N2S/c1-4-13-22-19(17-9-5-15(2)6-10-17)14-23-20(22)21-18-11-7-16(3)8-12-18/h4-12,14H,1,13H2,2-3H3

InChI Key

FKMZRXKKZWQPKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03514107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.823

Distribution Coefficient, logD

5.823

Water Solubility, LogSw

-5.67

Polar Surface Area

11.553

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

4052-1304 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4052-1304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-1304?
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What is the minimum amount of 4052-1304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-1304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-1304
  • 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 4052-1304 available by request