4852-0870 Screening compound: 2-isopentyl-1-(4-methoxyanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4852-0870 Screening compound: 2-isopentyl-1-(4-methoxyanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4852-0870 Screening compound: 2-isopentyl-1-(4-methoxyanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4852-0870
2-isopentyl-1-(4-methoxyanilino)-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

4852-0870

Molecular Formula

C25H26N4O (C25 H26 N4 O)

Compound Name

2-isopentyl-1-(4-methoxyanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-[(4-methoxyphenyl)amino]-11-methyl-12-(3-methylbutyl)-18-diazatricyclo[7.4.0.0^{27}]trideca-24681012-hexaene-10-carbonitrile

SMILES

CC(C)CCc(c(C)c1C#N)c(Nc(cc2)ccc2OC)n2c1nc1c2cccc1

InChI

InChI=1S/C25H26N4O/c1-16(2)9-14-20-17(3)21(15-26)25-28-22-7-5-6-8-23(22)29(25)24(20)27-18-10-12-19(30-4)13-11-18/h5-8,10-13,16,27H,9,14H2,1-4H3

InChI Key

APMBYWADAOBUJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03418248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.667

Distribution Coefficient, logD

6.666

Water Solubility, LogSw

-6.01

Polar Surface Area

41.236

Acid Dissociation Constant (pKa)

17.98

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

4852-0870 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4852-0870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0870?
Check Price and Availability of 4852-0870, 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 4852-0870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0870
  • 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 4852-0870 available by request