5166-0233 Screening compound: 2,4-dimethyl-N~3~-phenyl-4H-pyrazolo[1,5-a][1,3]benzimidazole-3-carbothioamide

5166-0233 Screening compound: 2,4-dimethyl-N~3~-phenyl-4H-pyrazolo[1,5-a][1,3]benzimidazole-3-carbothioamide
5166-0233 Screening compound: 2,4-dimethyl-N~3~-phenyl-4H-pyrazolo[1,5-a][1,3]benzimidazole-3-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5166-0233
2,4-dimethyl-N~3~-phenyl-4H-pyrazolo[1,5-a][1,3]benzimidazole-3-carbothioamide

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

5166-0233

Molecular Formula

C18H16N4S (C18 H16 N4 S)

Compound Name

2,4-dimethyl-N~3~-phenyl-4H-pyrazolo[1,5-a][1,3]benzimidazole-3-carbothioamide

IUPAC name

47-dimethyl-N-phenyl-237-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaene-5-carbothioamide

SMILES

Cc1nn(c(cccc2)c2n2C)c2c1C(Nc1ccccc1)=S

InChI

InChI=1S/C18H16N4S/c1-12-16(17(23)19-13-8-4-3-5-9-13)18-21(2)14-10-6-7-11-15(14)22(18)20-12/h3-11H,1-2H3,(H,19,23)

InChI Key

MQBNARSGUIQELZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01413280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.252

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.52

Polar Surface Area

23.608

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5166-0233 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5166-0233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5166-0233?
Check Price and Availability of 5166-0233, 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 5166-0233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5166-0233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5166-0233
  • 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 5166-0233 available by request