5556-0040 Screening compound: N-[3-(1H-IMIDAZOL-1-YL)PROPYL]-6-METHYLNICOTINAMIDE

5556-0040 Screening compound: N-[3-(1H-IMIDAZOL-1-YL)PROPYL]-6-METHYLNICOTINAMIDE
5556-0040 Screening compound: N-[3-(1H-IMIDAZOL-1-YL)PROPYL]-6-METHYLNICOTINAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5556-0040
N-[3-(1H-IMIDAZOL-1-YL)PROPYL]-6-METHYLNICOTINAMIDE

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

5556-0040

Molecular Formula

C13H16N4O (C13 H16 N4 O)

Compound Name

N-[3-(1H-IMIDAZOL-1-YL)PROPYL]-6-METHYLNICOTINAMIDE

IUPAC name

n/a

SMILES

Cc(cc1)ncc1C(NCCCn1cncc1)=O

InChI

InChI=1S/C13H16N4O/c1-11-3-4-12(9-16-11)13(18)15-5-2-7-17-8-6-14-10-17/h3-4,6,8-10H,2,5,7H2,1H3,(H,15,18)

InChI Key

MOQWQLTULUCVEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04141649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.383

Distribution Coefficient, logD

0.141

Water Solubility, LogSw

-1.22

Polar Surface Area

46.238

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

5556-0040 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5556-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5556-0040?
Check Price and Availability of 5556-0040, 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 5556-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5556-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5556-0040
  • 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 5556-0040 available by request