3474-0213 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5H,6H,7H-pyrrolo[1,2-a]imidazole

3474-0213 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5H,6H,7H-pyrrolo[1,2-a]imidazole
3474-0213 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5H,6H,7H-pyrrolo[1,2-a]imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3474-0213
2-{[(4-chlorophenyl)methyl]sulfanyl}-5H,6H,7H-pyrrolo[1,2-a]imidazole

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

3474-0213

Molecular Formula

C13H13ClN2S (C13 H13 ClN2 S)

Compound Name

2-{[(4-chlorophenyl)methyl]sulfanyl}-5H,6H,7H-pyrrolo[1,2-a]imidazole

IUPAC name

2-{[(4-chlorophenyl)methyl]sulfanyl}-5H6H7H-pyrrolo[12-a]imidazole

SMILES

Clc1ccc(CSc2cn(CCC3)c3n2)cc1

InChI

InChI=1S/C13H13ClN2S/c14-11-5-3-10(4-6-11)9-17-13-8-16-7-1-2-12(16)15-13/h3-6,8H,1-2,7,9H2

InChI Key

UDPSJSXSZKJVPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00575918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.78

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.160

Distribution Coefficient, logD

-1.099

Water Solubility, LogSw

-3.32

Polar Surface Area

12.569

Acid Dissociation Constant (pKa)

19.53

Base Dissociation Constant (pKb)

11.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

3474-0213 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Receptors Annotated Library (5376 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3474-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3474-0213?
Check Price and Availability of 3474-0213, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3474-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3474-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3474-0213
  • 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 3474-0213 available by request