4852-0369 Screening compound: 3-methyl-1-[(2-morpholinoethyl)amino]-2-pentylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4852-0369 Screening compound: 3-methyl-1-[(2-morpholinoethyl)amino]-2-pentylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4852-0369 Screening compound: 3-methyl-1-[(2-morpholinoethyl)amino]-2-pentylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4852-0369
3-methyl-1-[(2-morpholinoethyl)amino]-2-pentylpyrido[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

4852-0369

Molecular Formula

C24H31N5O (C24 H31 N5 O)

Compound Name

3-methyl-1-[(2-morpholinoethyl)amino]-2-pentylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

11-methyl-13-{[2-(morpholin-4-yl)ethyl]amino}-12-pentyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

CCCCCc(c(C)c1C#N)c(NCCN2CCOCC2)n2c1nc1c2cccc1

InChI

InChI=1S/C24H31N5O/c1-3-4-5-8-19-18(2)20(17-25)24-27-21-9-6-7-10-22(21)29(24)23(19)26-11-12-28-13-15-30-16-14-28/h6-7,9-10,26H,3-5,8,11-16H2,1-2H3

InChI Key

KTXHEYZXSPJALR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03416988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.190

Distribution Coefficient, logD

4.552

Water Solubility, LogSw

-4.94

Polar Surface Area

46.747

Acid Dissociation Constant (pKa)

17.42

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4852-0369 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4852-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0369?
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What is the minimum amount of 4852-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0369
  • 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 4852-0369 available by request