3084-0309 Screening compound: 1-{[2-(1-azepanyl)ethyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3084-0309 Screening compound: 1-{[2-(1-azepanyl)ethyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3084-0309 Screening compound: 1-{[2-(1-azepanyl)ethyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3084-0309
1-{[2-(1-azepanyl)ethyl]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

3084-0309

Molecular Formula

C21H25N5 (C21 H25 N5)

Compound Name

1-{[2-(1-azepanyl)ethyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-{[2-(azepan-1-yl)ethyl]amino}-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(cc(NCCN1CCCCCC1)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C21H25N5/c1-16-14-20(23-10-13-25-11-6-2-3-7-12-25)26-19-9-5-4-8-18(19)24-21(26)17(16)15-22/h4-5,8-9,14,23H,2-3,6-7,10-13H2,1H3

InChI Key

HMQYYGIDSLXFGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01912670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.332

Distribution Coefficient, logD

2.113

Water Solubility, LogSw

-4.20

Polar Surface Area

40.091

Acid Dissociation Constant (pKa)

17.21

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

3084-0309 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3084-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3084-0309?
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What is the minimum amount of 3084-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3084-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3084-0309
  • 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 3084-0309 available by request