8011-0200 Screening compound: (1-benzyl-1H-1,3-benzimidazol-2-yl)methyl (4,6-dimethyl-2-pyrimidinyl) sulfide

8011-0200 Screening compound: (1-benzyl-1H-1,3-benzimidazol-2-yl)methyl (4,6-dimethyl-2-pyrimidinyl) sulfide
8011-0200 Screening compound: (1-benzyl-1H-1,3-benzimidazol-2-yl)methyl (4,6-dimethyl-2-pyrimidinyl) sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0200
(1-benzyl-1H-1,3-benzimidazol-2-yl)methyl (4,6-dimethyl-2-pyrimidinyl) sulfide

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

8011-0200

Molecular Formula

C21H20N4S (C21 H20 N4 S)

Compound Name

(1-benzyl-1H-1,3-benzimidazol-2-yl)methyl (4,6-dimethyl-2-pyrimidinyl) sulfide

IUPAC name

1-benzyl-2-{[(46-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1H-13-benzodiazole

SMILES

Cc1nc(SCc2nc(cccc3)c3n2Cc2ccccc2)nc(C)c1

InChI

InChI=1S/C21H20N4S/c1-15-12-16(2)23-21(22-15)26-14-20-24-18-10-6-7-11-19(18)25(20)13-17-8-4-3-5-9-17/h3-12H,13-14H2,1-2H3

InChI Key

WLJRPQRIYNSWSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02063272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.707

Distribution Coefficient, logD

4.705

Water Solubility, LogSw

-4.53

Polar Surface Area

27.778

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

8011-0200 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8011-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0200?
Check Price and Availability of 8011-0200, 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 8011-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0200
  • 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 8011-0200 available by request