C148-0671 Screening compound: ethyl 4-{2-[1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

C148-0671 Screening compound: ethyl 4-{2-[1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
C148-0671 Screening compound: ethyl 4-{2-[1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0671
ethyl 4-{2-[1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]-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

C148-0671

Molecular Formula

C28H33ClN4O4S (C28 H33 ClN4 O4 S)

Compound Name

ethyl 4-{2-[1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[1-(3-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1c2cccc(Cl)c2)=O)N(CCN2CCC(C)CC2)C1=S)=O)=O

InChI

InChI=1S/C28H33ClN4O4S/c1-3-37-27(36)20-7-9-22(10-8-20)30-25(34)18-24-26(35)33(23-6-4-5-21(29)17-23)28(38)32(24)16-15-31-13-11-19(2)12-14-31/h4-10,17,19,24H,3,11-16,18H2,1-2H3,(H,30,34)/t24-/m1/s1

InChI Key

OJKDCIHYNWLUPG-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14722728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.11

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.535

Distribution Coefficient, logD

1.974

Water Solubility, LogSw

-4.49

Polar Surface Area

66.112

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

9.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

C148-0671 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with C148-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0671?
Check Price and Availability of C148-0671, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C148-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0671
  • 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 C148-0671 available by request