C466-0237 Screening compound: 2-(3-CHLORO-4-METHOXYPHENYL)-3-[4-(DIMETHYLAMINO)PHENYL]-HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE

C466-0237 Screening compound: 2-(3-CHLORO-4-METHOXYPHENYL)-3-[4-(DIMETHYLAMINO)PHENYL]-HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE
C466-0237 Screening compound: 2-(3-CHLORO-4-METHOXYPHENYL)-3-[4-(DIMETHYLAMINO)PHENYL]-HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C466-0237
2-(3-CHLORO-4-METHOXYPHENYL)-3-[4-(DIMETHYLAMINO)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

C466-0237

Molecular Formula

C21H24ClN3O2 (C21 H24 ClN3 O2)

Compound Name

2-(3-CHLORO-4-METHOXYPHENYL)-3-[4-(DIMETHYLAMINO)PHENYL]-HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE

IUPAC name

n/a

SMILES

CN(C)c1ccc([C@@H](N(CCC2)[C@H]2C2=O)N2c(cc2)cc(Cl)c2OC)cc1

InChI

InChI=1S/C21H24ClN3O2/c1-23(2)15-8-6-14(7-9-15)20-24-12-4-5-18(24)21(26)25(20)16-10-11-19(27-3)17(22)13-16/h6-11,13,18,20H,4-5,12H2,1-3H3/t18-,20-/m0/s1

InChI Key

YNZPHGCURHXVIG-ICSRJNTNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.529

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-3.92

Polar Surface Area

29.616

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

C466-0237 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C466-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C466-0237?
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What is the minimum amount of C466-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C466-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C466-0237
  • 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 C466-0237 available by request