C148-0216 Screening compound: ethyl 4-(4-{[(4-bromophenyl)carbamoyl]methyl}-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate

C148-0216 Screening compound: ethyl 4-(4-{[(4-bromophenyl)carbamoyl]methyl}-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
C148-0216 Screening compound: ethyl 4-(4-{[(4-bromophenyl)carbamoyl]methyl}-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0216
ethyl 4-(4-{[(4-bromophenyl)carbamoyl]methyl}-3-[2-(4-methylpiperazin-1-yl)ethyl]-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

C148-0216

Molecular Formula

C27H32BrN5O4S (C27 H32 BrN5 O4 S)

Compound Name

ethyl 4-(4-{[(4-bromophenyl)carbamoyl]methyl}-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate

IUPAC name

ethyl 4-(4-{[(4-bromophenyl)carbamoyl]methyl}-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C(CC(Nc(cc1)ccc1Br)=O)N1CCN2CCN(C)CC2)=O)C1=S)=O

InChI

InChI=1S/C27H32BrN5O4S/c1-3-37-26(36)19-4-10-22(11-5-19)33-25(35)23(18-24(34)29-21-8-6-20(28)7-9-21)32(27(33)38)17-16-31-14-12-30(2)13-15-31/h4-11,23H,3,12-18H2,1-2H3,(H,29,34)/t23-/m0/s1

InChI Key

RQQHAAOXEPBHQN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14722483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.145

Distribution Coefficient, logD

1.901

Water Solubility, LogSw

-3.33

Polar Surface Area

69.588

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

8.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with C148-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0216
  • 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 C148-0216 available by request