8014-6022 Screening compound: N-[4-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)-1,3-thiazol-2(3H)-yliden](phenyl)methanamine

8014-6022 Screening compound: N-[4-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)-1,3-thiazol-2(3H)-yliden](phenyl)methanamine
8014-6022 Screening compound: N-[4-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)-1,3-thiazol-2(3H)-yliden](phenyl)methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-6022
N-[4-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)-1,3-thiazol-2(3H)-yliden](phenyl)methanamine

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

8014-6022

Molecular Formula

C25H24N2OS (C25 H24 N2 OS)

Compound Name

N-[4-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)-1,3-thiazol-2(3H)-yliden](phenyl)methanamine

IUPAC name

N-[(2Z)-4-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)-23-dihydro-13-thiazol-2-ylidene]-1-phenylmethanamine

SMILES

CC(S/C1=N\Cc2ccccc2)=C(c(cc2)ccc2OC)N1c1ccc(C)cc1

InChI

InChI=1S/C25H24N2OS/c1-18-9-13-22(14-10-18)27-24(21-11-15-23(28-3)16-12-21)19(2)29-25(27)26-17-20-7-5-4-6-8-20/h4-16H,17H2,1-3H3

InChI Key

IXNRQLFKCHSKJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01794349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.935

Distribution Coefficient, logD

6.935

Water Solubility, LogSw

-5.96

Polar Surface Area

19.169

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

8014-6022 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-6022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6022?
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What is the minimum amount of 8014-6022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6022
  • 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 8014-6022 available by request