8012-4128 Screening compound: 2-[5-oxo-3-(2-phenylethyl)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-N-phenylacetamide

8012-4128 Screening compound: 2-[5-oxo-3-(2-phenylethyl)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-N-phenylacetamide
8012-4128 Screening compound: 2-[5-oxo-3-(2-phenylethyl)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4128
2-[5-oxo-3-(2-phenylethyl)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-N-phenylacetamide

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

8012-4128

Molecular Formula

C26H22F3N3O2S (C26 H22 F3 N3 O2 S)

Compound Name

2-[5-oxo-3-(2-phenylethyl)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-N-phenylacetamide

IUPAC name

2-[5-oxo-3-(2-phenylethyl)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-N-phenylacetamide

SMILES

O=C(CC(C(N1c2cc(C(F)(F)F)ccc2)=O)N(CCc2ccccc2)C1=S)Nc1ccccc1

InChI

InChI=1S/C26H22F3N3O2S/c27-26(28,29)19-10-7-13-21(16-19)32-24(34)22(17-23(33)30-20-11-5-2-6-12-20)31(25(32)35)15-14-18-8-3-1-4-9-18/h1-13,16,22H,14-15,17H2,(H,30,33)/t22-/m1/s1

InChI Key

UZUNXJRAMOXKHK-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD02142473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.682

Distribution Coefficient, logD

4.682

Water Solubility, LogSw

-4.68

Polar Surface Area

41.375

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.23

8012-4128 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-4128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4128?
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What is the minimum amount of 8012-4128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4128
  • 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 8012-4128 available by request