C063-0016 Screening compound: 2-benzyl-1-{[3-(diethylamino)propyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

C063-0016 Screening compound: 2-benzyl-1-{[3-(diethylamino)propyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
C063-0016 Screening compound: 2-benzyl-1-{[3-(diethylamino)propyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound C063-0016
2-benzyl-1-{[3-(diethylamino)propyl]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

C063-0016

Molecular Formula

C27H31N5 (C27 H31 N5)

Compound Name

2-benzyl-1-{[3-(diethylamino)propyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

12-benzyl-13-{[3-(diethylamino)propyl]amino}-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

CCN(CC)CCCNc(n1c2nc3c1cccc3)c(Cc1ccccc1)c(C)c2C#N

InChI

InChI=1S/C27H31N5/c1-4-31(5-2)17-11-16-29-26-22(18-21-12-7-6-8-13-21)20(3)23(19-28)27-30-24-14-9-10-15-25(24)32(26)27/h6-10,12-15,29H,4-5,11,16-18H2,1-3H3

InChI Key

UOFNYEGSJNPSFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02366957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.900

Distribution Coefficient, logD

3.660

Water Solubility, LogSw

-5.71

Polar Surface Area

38.267

Acid Dissociation Constant (pKa)

19.38

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C063-0016 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C063-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C063-0016?
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What is the minimum amount of C063-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C063-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C063-0016
  • 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 C063-0016 available by request