C148-0755 Screening compound: ethyl 4-{2-[1-(4-fluorophenyl)-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

C148-0755 Screening compound: ethyl 4-{2-[1-(4-fluorophenyl)-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
C148-0755 Screening compound: ethyl 4-{2-[1-(4-fluorophenyl)-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0755
ethyl 4-{2-[1-(4-fluorophenyl)-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetamido}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

C148-0755

Molecular Formula

C26H23FN4O4S (C26 H23 FN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1c(cc2)ccc2F)=O)N(Cc2ncccc2)C1=S)=O)=O

InChI

InChI=1S/C26H23FN4O4S/c1-2-35-25(34)17-6-10-19(11-7-17)29-23(32)15-22-24(33)31(21-12-8-18(27)9-13-21)26(36)30(22)16-20-5-3-4-14-28-20/h3-14,22H,2,15-16H2,1H3,(H,29,32)/t22-/m1/s1

InChI Key

RYTYTLZGUWPGTO-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD05854365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.206

Distribution Coefficient, logD

3.206

Water Solubility, LogSw

-3.37

Polar Surface Area

71.694

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

C148-0755 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C148-0755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0755?
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What is the minimum amount of C148-0755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0755
  • 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 C148-0755 available by request