C466-0445F Screening compound: 2-(4-CHLOROPHENYL)-3-[4-(METHYLTHIO)PHENYL]HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE

C466-0445F Screening compound: 2-(4-CHLOROPHENYL)-3-[4-(METHYLTHIO)PHENYL]HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE
C466-0445F Screening compound: 2-(4-CHLOROPHENYL)-3-[4-(METHYLTHIO)PHENYL]HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C466-0445F
2-(4-CHLOROPHENYL)-3-[4-(METHYLTHIO)PHENYL]HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE

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

C466-0445F

Molecular Formula

C19H19ClN2OS (C19 H19 ClN2 OS)

Compound Name

2-(4-CHLOROPHENYL)-3-[4-(METHYLTHIO)PHENYL]HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE

IUPAC name

n/a

SMILES

N1(C([C@H]2N([C@H]1c1ccc(SC)cc1)CCC2)=O)c1ccc(cc1)Cl

InChI

InChI=1S/C19H19ClN2OS/c1-24-16-10-4-13(5-11-16)18-21-12-2-3-17(21)19(23)22(18)15-8-6-14(20)7-9-15/h4-11,17-18H,2-3,12H2,1H3/t17-,18-/m1/s1

InChI Key

IENHQDFICATLIR-QZTJIDSGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.363

Distribution Coefficient, logD

4.168

Water Solubility, LogSw

-4.77

Polar Surface Area

19.181

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with C466-0445F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C466-0445F?
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What is the minimum amount of C466-0445F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C466-0445F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C466-0445F
  • 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 C466-0445F available by request