8008-0998 Screening compound: 1-(2,4-dimethyl-4H-pyrazolo[1,5-a][1,3]benzimidazol-3-yl)-1-ethanone

8008-0998 Screening compound: 1-(2,4-dimethyl-4H-pyrazolo[1,5-a][1,3]benzimidazol-3-yl)-1-ethanone
8008-0998 Screening compound: 1-(2,4-dimethyl-4H-pyrazolo[1,5-a][1,3]benzimidazol-3-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-0998
1-(2,4-dimethyl-4H-pyrazolo[1,5-a][1,3]benzimidazol-3-yl)-1-ethanone

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

8008-0998

Molecular Formula

C13H13N3O (C13 H13 N3 O)

Compound Name

1-(2,4-dimethyl-4H-pyrazolo[1,5-a][1,3]benzimidazol-3-yl)-1-ethanone

IUPAC name

1-{47-dimethyl-237-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaen-5-yl}ethan-1-one

SMILES

CC(c1c(n(C)c2c3cccc2)n3nc1C)=O

InChI

InChI=1S/C13H13N3O/c1-8-12(9(2)17)13-15(3)10-6-4-5-7-11(10)16(13)14-8/h4-7H,1-3H3

InChI Key

HXUOBVIVDMTQLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

227.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.422

Distribution Coefficient, logD

1.422

Water Solubility, LogSw

-1.65

Polar Surface Area

27.953

Acid Dissociation Constant (pKa)

22.03

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8008-0998 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8008-0998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-0998?
Check Price and Availability of 8008-0998, 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 8008-0998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-0998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-0998
  • 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 8008-0998 available by request