C148-0493 Screening compound: ethyl 4-[2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamido]benzoate

C148-0493 Screening compound: ethyl 4-[2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamido]benzoate
C148-0493 Screening compound: ethyl 4-[2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0493
ethyl 4-[2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-methyl-5-oxo-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

C148-0493

Molecular Formula

C28H34FN5O4S (C28 H34 FN5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1C)=O)N(CCCN(CC2)CCN2c(cc2)ccc2F)C1=S)=O)=O

InChI

InChI=1S/C28H34FN5O4S/c1-3-38-27(37)20-5-9-22(10-6-20)30-25(35)19-24-26(36)31(2)28(39)34(24)14-4-13-32-15-17-33(18-16-32)23-11-7-21(29)8-12-23/h5-12,24H,3-4,13-19H2,1-2H3,(H,30,35)/t24-/m1/s1

InChI Key

CJUDQZMSWZKQSK-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14722567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.051

Distribution Coefficient, logD

2.824

Water Solubility, LogSw

-3.35

Polar Surface Area

70.021

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

C148-0493 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C148-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0493?
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What is the minimum amount of C148-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0493
  • 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 C148-0493 available by request