C148-0740 Screening compound: ethyl 4-{5-oxo-4-[(phenylcarbamoyl)methyl]-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-1-yl}benzoate

C148-0740 Screening compound: ethyl 4-{5-oxo-4-[(phenylcarbamoyl)methyl]-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
C148-0740 Screening compound: ethyl 4-{5-oxo-4-[(phenylcarbamoyl)methyl]-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0740
ethyl 4-{5-oxo-4-[(phenylcarbamoyl)methyl]-3-[(pyridin-2-yl)methyl]-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

C148-0740

Molecular Formula

C26H24N4O4S (C26 H24 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1N(C(C(CC(Nc1ccccc1)=O)N1Cc2ncccc2)=O)C1=S)=O

InChI

InChI=1S/C26H24N4O4S/c1-2-34-25(33)18-11-13-21(14-12-18)30-24(32)22(16-23(31)28-19-8-4-3-5-9-19)29(26(30)35)17-20-10-6-7-15-27-20/h3-15,22H,2,16-17H2,1H3,(H,28,31)/t22-/m1/s1

InChI Key

RLWHBBVHLFWJAS-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD05854348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.57

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

2.985

Distribution Coefficient, logD

2.985

Water Solubility, LogSw

-3.38

Polar Surface Area

71.694

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

C148-0740 in Drug Discovery

Included in Screening Libraries

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 C148-0740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0740?
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What is the minimum amount of C148-0740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0740
  • 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 C148-0740 available by request