3084-0333 Screening compound: 1-(cyclohexylamino)-2-ethyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3084-0333 Screening compound: 1-(cyclohexylamino)-2-ethyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3084-0333 Screening compound: 1-(cyclohexylamino)-2-ethyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3084-0333
1-(cyclohexylamino)-2-ethyl-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

3084-0333

Molecular Formula

C21H24N4 (C21 H24 N4)

Compound Name

1-(cyclohexylamino)-2-ethyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

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

SMILES

CCc(c(C)c1C#N)c(NC2CCCCC2)n2c1nc1c2cccc1

InChI

InChI=1S/C21H24N4/c1-3-16-14(2)17(13-22)21-24-18-11-7-8-12-19(18)25(21)20(16)23-15-9-5-4-6-10-15/h7-8,11-12,15,23H,3-6,9-10H2,1-2H3

InChI Key

WLYGXKYDBOJKSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01066362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.645

Distribution Coefficient, logD

5.644

Water Solubility, LogSw

-5.66

Polar Surface Area

34.740

Acid Dissociation Constant (pKa)

19.11

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

3084-0333 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3084-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3084-0333?
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What is the minimum amount of 3084-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3084-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3084-0333
  • 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 3084-0333 available by request