4852-0361 Screening compound: 1-{[2-(dimethylamino)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4852-0361 Screening compound: 1-{[2-(dimethylamino)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4852-0361 Screening compound: 1-{[2-(dimethylamino)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4852-0361
1-{[2-(dimethylamino)ethyl]amino}-3-methyl-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

4852-0361

Molecular Formula

C22H29N5 (C22 H29 N5)

Compound Name

1-{[2-(dimethylamino)ethyl]amino}-3-methyl-2-pentylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H29N5/c1-5-6-7-10-17-16(2)18(15-23)22-25-19-11-8-9-12-20(19)27(22)21(17)24-13-14-26(3)4/h8-9,11-12,24H,5-7,10,13-14H2,1-4H3

InChI Key

JRTMCBDREVZODS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03667380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.453

Distribution Coefficient, logD

2.676

Water Solubility, LogSw

-5.39

Polar Surface Area

38.993

Acid Dissociation Constant (pKa)

17.42

Base Dissociation Constant (pKb)

10.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

4852-0361 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4852-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0361?
Check Price and Availability of 4852-0361, 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 4852-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0361
  • 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 4852-0361 available by request