8018-8856 Screening compound: 2-(4-chlorophenyl)-3-(dimethylamino)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione

8018-8856 Screening compound: 2-(4-chlorophenyl)-3-(dimethylamino)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione
8018-8856 Screening compound: 2-(4-chlorophenyl)-3-(dimethylamino)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8856
2-(4-chlorophenyl)-3-(dimethylamino)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione

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

8018-8856

Molecular Formula

C14H16ClN3O2 (C14 H16 ClN3 O2)

Compound Name

2-(4-chlorophenyl)-3-(dimethylamino)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione

IUPAC name

2-(4-chlorophenyl)-3-(dimethylamino)-hexahydro-1H-pyrrolo[12-c]imidazole-15-dione

SMILES

CN(C)C(N(C(CC1)C2=O)C1=O)N2c(cc1)ccc1Cl

InChI

InChI=1S/C14H16ClN3O2/c1-16(2)14-17(10-5-3-9(15)4-6-10)13(20)11-7-8-12(19)18(11)14/h3-6,11,14H,7-8H2,1-2H3

InChI Key

VDDGXUAUHLJMAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.954

Distribution Coefficient, logD

0.288

Water Solubility, LogSw

-2.24

Polar Surface Area

34.699

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.86

8018-8856 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-8856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8856?
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What is the minimum amount of 8018-8856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8856
  • 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 8018-8856 available by request