C148-0713 Screening compound: ethyl 4-(4-{[(4-fluorophenyl)carbamoyl]methyl}-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate

C148-0713 Screening compound: ethyl 4-(4-{[(4-fluorophenyl)carbamoyl]methyl}-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
C148-0713 Screening compound: ethyl 4-(4-{[(4-fluorophenyl)carbamoyl]methyl}-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0713
ethyl 4-(4-{[(4-fluorophenyl)carbamoyl]methyl}-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate

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

C148-0713

Molecular Formula

C27H26FN3O4S2 (C27 H26 FN3 O4 S2)

Compound Name

ethyl 4-(4-{[(4-fluorophenyl)carbamoyl]methyl}-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate

IUPAC name

ethyl 4-(4-{[(4-fluorophenyl)carbamoyl]methyl}-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate

SMILES

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

InChI

InChI=1S/C27H26FN3O4S2/c1-3-35-26(34)18-4-10-21(11-5-18)31-25(33)22(16-24(32)29-20-8-6-19(28)7-9-20)30(27(31)36)14-12-23-17(2)13-15-37-23/h4-11,13,15,22H,3,12,14,16H2,1-2H3,(H,29,32)/t22-/m1/s1

InChI Key

ZTTMUEHDQWXLPD-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD05259537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.953

Distribution Coefficient, logD

4.952

Water Solubility, LogSw

-4.46

Polar Surface Area

63.147

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

C148-0713 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 C148-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C148-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0713
  • 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 C148-0713 available by request