C089-0526 Screening compound: 2-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide

C089-0526 Screening compound: 2-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
C089-0526 Screening compound: 2-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C089-0526
2-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide

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

C089-0526

Molecular Formula

C30H29Cl3FN5O2S (C30 H29 Cl3 FN5 O2 S)

Compound Name

2-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide

IUPAC name

2-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(34-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide

SMILES

O=C(CC(C(N1c(cc2)cc(Cl)c2Cl)=O)N(CCCN(CC2)CCN2c2cc(Cl)ccc2)C1=S)Nc(cc1)ccc1F

InChI

InChI=1S/C30H29Cl3FN5O2S/c31-20-3-1-4-23(17-20)37-15-13-36(14-16-37)11-2-12-38-27(19-28(40)35-22-7-5-21(34)6-8-22)29(41)39(30(38)42)24-9-10-25(32)26(33)18-24/h1,3-10,17-18,27H,2,11-16,19H2,(H,35,40)/t27-/m1/s1

InChI Key

RSASTBQSEVOFEW-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD14718538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

649.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.615

Distribution Coefficient, logD

5.387

Water Solubility, LogSw

-6.00

Polar Surface Area

48.618

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with C089-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C089-0526?
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What is the minimum amount of C089-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C089-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C089-0526
  • 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 C089-0526 available by request