C148-0717 Screening compound: 2-[1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide

C148-0717 Screening compound: 2-[1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
C148-0717 Screening compound: 2-[1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0717
2-[1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-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

C148-0717

Molecular Formula

C25H25N3O3S2 (C25 H25 N3 O3 S2)

Compound Name

2-[1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide

IUPAC name

2-[1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide

SMILES

Cc1c(CCN(C(CC(Nc2ccccc2)=O)C(N2c(cc3)ccc3OC)=O)C2=S)scc1

InChI

InChI=1S/C25H25N3O3S2/c1-17-13-15-33-22(17)12-14-27-21(16-23(29)26-18-6-4-3-5-7-18)24(30)28(25(27)32)19-8-10-20(31-2)11-9-19/h3-11,13,15,21H,12,14,16H2,1-2H3,(H,26,29)/t21-/m1/s1

InChI Key

RVOXGWYXTSPJPD-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD05259542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.113

Distribution Coefficient, logD

4.113

Water Solubility, LogSw

-4.19

Polar Surface Area

49.938

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

C148-0717 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 C148-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0717?
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What is the minimum amount of C148-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0717
  • 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 C148-0717 available by request