S696-1063 Screening compound: (3-{[5-methyl-2-(3-pyridyl)-1H-imidazol-1-yl]methyl}-1-azetanyl)(1-methyl-1H-pyrrol-2-yl)methanone

S696-1063 Screening compound: (3-{[5-methyl-2-(3-pyridyl)-1H-imidazol-1-yl]methyl}-1-azetanyl)(1-methyl-1H-pyrrol-2-yl)methanone
S696-1063 Screening compound: (3-{[5-methyl-2-(3-pyridyl)-1H-imidazol-1-yl]methyl}-1-azetanyl)(1-methyl-1H-pyrrol-2-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S696-1063
(3-{[5-methyl-2-(3-pyridyl)-1H-imidazol-1-yl]methyl}-1-azetanyl)(1-methyl-1H-pyrrol-2-yl)methanone

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

S696-1063

Molecular Formula

C19H21N5O (C19 H21 N5 O)

Compound Name

(3-{[5-methyl-2-(3-pyridyl)-1H-imidazol-1-yl]methyl}-1-azetanyl)(1-methyl-1H-pyrrol-2-yl)methanone

IUPAC name

n/a

SMILES

Cc1cnc(-c2cnccc2)n1CC(C1)CN1C(c1cccn1C)=O

InChI

InChI=1S/C19H21N5O/c1-14-9-21-18(16-5-3-7-20-10-16)24(14)13-15-11-23(12-15)19(25)17-6-4-8-22(17)2/h3-10,15H,11-13H2,1-2H3

InChI Key

OAFODSZIYRWNLZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.213

Distribution Coefficient, logD

1.733

Water Solubility, LogSw

-1.77

Polar Surface Area

39.933

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with S696-1063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S696-1063?
Check Price and Availability of S696-1063, 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 S696-1063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S696-1063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S696-1063
  • 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 S696-1063 available by request