8018-7422 Screening compound: (2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)(4-fluorophenyl)methanone

8018-7422 Screening compound: (2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)(4-fluorophenyl)methanone
8018-7422 Screening compound: (2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)(4-fluorophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7422
(2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)(4-fluorophenyl)methanone

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

8018-7422

Molecular Formula

C13H12FN3O (C13 H12 FN3 O)

Compound Name

(2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)(4-fluorophenyl)methanone

IUPAC name

3-(4-fluorobenzoyl)-5H6H7H-pyrrolo[12-a]imidazol-2-amine

SMILES

Nc1c(C(c(cc2)ccc2F)=O)n(CCC2)c2n1

InChI

InChI=1S/C13H12FN3O/c14-9-5-3-8(4-6-9)12(18)11-13(15)16-10-2-1-7-17(10)11/h3-6H,1-2,7,15H2

InChI Key

HICZSZHLXMMSIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.893

Distribution Coefficient, logD

0.081

Water Solubility, LogSw

-2.38

Polar Surface Area

45.509

Acid Dissociation Constant (pKa)

16.63

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

8018-7422 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Fragments Library (11262 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Structure:
  • Fragments
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-7422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7422?
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What is the minimum amount of 8018-7422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7422
  • 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 8018-7422 available by request