C148-0630 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

C148-0630 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
C148-0630 Screening compound: ethyl 4-{2-[1-(4-chlorophenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0630
ethyl 4-{2-[1-(4-chlorophenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-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

C148-0630

Molecular Formula

C33H36ClN5O4S (C33 H36 ClN5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1c(cc2)ccc2Cl)=O)N(CCCN(CC2)CCN2c2ccccc2)C1=S)=O)=O

InChI

InChI=1S/C33H36ClN5O4S/c1-2-43-32(42)24-9-13-26(14-10-24)35-30(40)23-29-31(41)39(28-15-11-25(34)12-16-28)33(44)38(29)18-6-17-36-19-21-37(22-20-36)27-7-4-3-5-8-27/h3-5,7-16,29H,2,6,17-23H2,1H3,(H,35,40)/t29-/m1/s1

InChI Key

NKXLBZYMLIXWKW-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD14722691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

634.2

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.859

Distribution Coefficient, logD

4.632

Water Solubility, LogSw

-4.83

Polar Surface Area

69.372

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C148-0630 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C148-0630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0630?
Check Price and Availability of C148-0630, 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 C148-0630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0630
  • 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 C148-0630 available by request