2738-0041 Screening compound: 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide

2738-0041 Screening compound: 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide
2738-0041 Screening compound: 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2738-0041
2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}-N-(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

2738-0041

Molecular Formula

C27H23ClF3N3O3S (C27 H23 ClF3 N3 O3 S)

Compound Name

2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide

IUPAC name

2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide

SMILES

COc(cc1)ccc1NC(CC(C(N1c2cc(C(F)(F)F)ccc2)=O)N(CCc(cc2)ccc2Cl)C1=S)=O

InChI

InChI=1S/C27H23ClF3N3O3S/c1-37-22-11-9-20(10-12-22)32-24(35)16-23-25(36)34(21-4-2-3-18(15-21)27(29,30)31)26(38)33(23)14-13-17-5-7-19(28)8-6-17/h2-12,15,23H,13-14,16H2,1H3,(H,32,35)/t23-/m0/s1

InChI Key

XPECQGBCFKSXPN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02142952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.451

Distribution Coefficient, logD

5.451

Water Solubility, LogSw

-6.09

Polar Surface Area

48.919

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

2738-0041 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 2738-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2738-0041?
Check Price and Availability of 2738-0041, 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 2738-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2738-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2738-0041
  • 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 2738-0041 available by request