C148-0589 Screening compound: ethyl 4-{3-[3-(4-benzylpiperazin-1-yl)propyl]-4-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate

C148-0589 Screening compound: ethyl 4-{3-[3-(4-benzylpiperazin-1-yl)propyl]-4-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
C148-0589 Screening compound: ethyl 4-{3-[3-(4-benzylpiperazin-1-yl)propyl]-4-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0589
ethyl 4-{3-[3-(4-benzylpiperazin-1-yl)propyl]-4-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-5-oxo-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

C148-0589

Molecular Formula

C37H43N5O6S (C37 H43 N5 O6 S)

Compound Name

ethyl 4-{3-[3-(4-benzylpiperazin-1-yl)propyl]-4-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate

IUPAC name

ethyl 4-{3-[3-(4-benzylpiperazin-1-yl)propyl]-4-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1c(cc2)ccc2C(OCC)=O)=O)N(CCCN2CCN(Cc3ccccc3)CC2)C1=S)=O)=O

InChI

InChI=1S/C37H43N5O6S/c1-3-47-35(45)28-11-15-30(16-12-28)38-33(43)25-32-34(44)42(31-17-13-29(14-18-31)36(46)48-4-2)37(49)41(32)20-8-19-39-21-23-40(24-22-39)26-27-9-6-5-7-10-27/h5-7,9-18,32H,3-4,8,19-26H2,1-2H3,(H,38,43)/t32-/m1/s1

InChI Key

IDZIMMNGKPYCRB-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD14722652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

685.84

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.547

Distribution Coefficient, logD

4.177

Water Solubility, LogSw

-4.11

Polar Surface Area

90.406

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.80

C148-0589 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C148-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0589?
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What is the minimum amount of C148-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0589
  • 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 C148-0589 available by request