4852-0809 Screening compound: 2-butyl-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4852-0809 Screening compound: 2-butyl-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4852-0809 Screening compound: 2-butyl-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4852-0809
2-butyl-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

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

4852-0809

Molecular Formula

C28H28N6O (C28 H28 N6 O)

Compound Name

2-butyl-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

12-butyl-13-[(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)amino]-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

CCCCc(c(C)c1C#N)c(NC(C2=O)=C(C)N(C)N2c2ccccc2)n2c1nc1c2cccc1

InChI

InChI=1S/C28H28N6O/c1-5-6-14-21-18(2)22(17-29)27-30-23-15-10-11-16-24(23)33(27)26(21)31-25-19(3)32(4)34(28(25)35)20-12-8-7-9-13-20/h7-13,15-16,31H,5-6,14H2,1-4H3

InChI Key

HIOSYSIOXSGMQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03284474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.239

Distribution Coefficient, logD

5.137

Water Solubility, LogSw

-5.10

Polar Surface Area

54.073

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4852-0809 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4852-0809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0809?
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What is the minimum amount of 4852-0809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0809
  • 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 4852-0809 available by request