C148-0714 Screening compound: 2-[1-(4-ethoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide

C148-0714 Screening compound: 2-[1-(4-ethoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
C148-0714 Screening compound: 2-[1-(4-ethoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0714
2-[1-(4-ethoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)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

C148-0714

Molecular Formula

C26H26FN3O3S2 (C26 H26 FN3 O3 S2)

Compound Name

2-[1-(4-ethoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide

IUPAC name

2-[1-(4-ethoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide

SMILES

CCOc(cc1)ccc1N(C(C(CC(Nc(cc1)ccc1F)=O)N1CCc2c(C)ccs2)=O)C1=S

InChI

InChI=1S/C26H26FN3O3S2/c1-3-33-21-10-8-20(9-11-21)30-25(32)22(16-24(31)28-19-6-4-18(27)5-7-19)29(26(30)34)14-12-23-17(2)13-15-35-23/h4-11,13,15,22H,3,12,14,16H2,1-2H3,(H,28,31)/t22-/m1/s1

InChI Key

ATFGMQHXKXGQMO-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD05259538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.64

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

4.720

Distribution Coefficient, logD

4.720

Water Solubility, LogSw

-4.29

Polar Surface Area

49.517

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

C148-0714 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

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 C148-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0714?
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What is the minimum amount of C148-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0714
  • 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 C148-0714 available by request