8015-8549 Screening compound: 2-(1-(4-chlorophenyl)-3-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-5-oxo-2-thioxo-4-imidazolidinyl)-N~1~-(4-methoxyphenyl)acetamide

8015-8549 Screening compound: 2-(1-(4-chlorophenyl)-3-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-5-oxo-2-thioxo-4-imidazolidinyl)-N~1~-(4-methoxyphenyl)acetamide
8015-8549 Screening compound: 2-(1-(4-chlorophenyl)-3-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-5-oxo-2-thioxo-4-imidazolidinyl)-N~1~-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8549
2-(1-(4-chlorophenyl)-3-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-5-oxo-2-thioxo-4-imidazolidinyl)-N~1~-(4-methoxyphenyl)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

8015-8549

Molecular Formula

C26H25ClF3N5O3S (C26 H25 ClF3 N5 O3 S)

Compound Name

2-(1-(4-chlorophenyl)-3-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-5-oxo-2-thioxo-4-imidazolidinyl)-N~1~-(4-methoxyphenyl)acetamide

IUPAC name

2-[1-(4-chlorophenyl)-3-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

SMILES

Cc1cc(C(F)(F)F)nn1CCCN(C(CC(Nc(cc1)ccc1OC)=O)C(N1c(cc2)ccc2Cl)=O)C1=S

InChI

InChI=1S/C26H25ClF3N5O3S/c1-16-14-22(26(28,29)30)32-34(16)13-3-12-33-21(15-23(36)31-18-6-10-20(38-2)11-7-18)24(37)35(25(33)39)19-8-4-17(27)5-9-19/h4-11,14,21H,3,12-13,15H2,1-2H3,(H,31,36)/t21-/m1/s1

InChI Key

WBHBYBSVDUMXKY-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03453699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.887

Distribution Coefficient, logD

3.887

Water Solubility, LogSw

-4.42

Polar Surface Area

63.098

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

8015-8549 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-8549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8549?
Check Price and Availability of 8015-8549, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-8549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8549
  • 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 8015-8549 available by request