8017-8855 Screening compound: 2-({1-mesityl-4-[(Z)-1-(4-methoxyphenyl)methylidene]-5-oxo-1,5-dihydro-4H-imidazol-2-yl}sulfanyl)-N~1~-(2-methylphenyl)acetamide

8017-8855 Screening compound: 2-({1-mesityl-4-[(Z)-1-(4-methoxyphenyl)methylidene]-5-oxo-1,5-dihydro-4H-imidazol-2-yl}sulfanyl)-N~1~-(2-methylphenyl)acetamide
8017-8855 Screening compound: 2-({1-mesityl-4-[(Z)-1-(4-methoxyphenyl)methylidene]-5-oxo-1,5-dihydro-4H-imidazol-2-yl}sulfanyl)-N~1~-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8855
2-({1-mesityl-4-[(Z)-1-(4-methoxyphenyl)methylidene]-5-oxo-1,5-dihydro-4H-imidazol-2-yl}sulfanyl)-N~1~-(2-methylphenyl)acetamide

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

8017-8855

Molecular Formula

C29H29N3O3S (C29 H29 N3 O3 S)

Compound Name

2-({1-mesityl-4-[(Z)-1-(4-methoxyphenyl)methylidene]-5-oxo-1,5-dihydro-4H-imidazol-2-yl}sulfanyl)-N~1~-(2-methylphenyl)acetamide

IUPAC name

n/a

SMILES

Cc(cc1C)cc(C)c1N(C1=O)C(SCC(Nc2c(C)cccc2)=O)=N/C1=C\c(cc1)ccc1OC

InChI

InChI=1S/C29H29N3O3S/c1-18-14-20(3)27(21(4)15-18)32-28(34)25(16-22-10-12-23(35-5)13-11-22)31-29(32)36-17-26(33)30-24-9-7-6-8-19(24)2/h6-16H,17H2,1-5H3,(H,30,33)

InChI Key

VQGYAQYFUXPMGS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.164

Distribution Coefficient, logD

6.164

Water Solubility, LogSw

-5.44

Polar Surface Area

54.743

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with 8017-8855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8855?
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What is the minimum amount of 8017-8855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8855
  • 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 8017-8855 available by request