M505-0747 Screening compound: 1-[(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYL]AZEPANE

M505-0747 Screening compound: 1-[(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYL]AZEPANE
M505-0747 Screening compound: 1-[(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYL]AZEPANE alternative view

Chemical Structure Depiction of ChemDiv screening compound M505-0747
1-[(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYL]AZEPANE

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

M505-0747

Molecular Formula

C18H25N3 (C18 H25 N3)

Compound Name

1-[(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYL]AZEPANE

IUPAC name

n/a

SMILES

Cc1c(CN2CCCCCC2)c(C)nn1-c1ccccc1

InChI

InChI=1S/C18H25N3/c1-15-18(14-20-12-8-3-4-9-13-20)16(2)21(19-15)17-10-6-5-7-11-17/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3

InChI Key

VLGHIWJHMTVJOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27544668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.383

Distribution Coefficient, logD

-0.101

Water Solubility, LogSw

-3.47

Polar Surface Area

18.720

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

10.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

M505-0747 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M505-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M505-0747?
Check Price and Availability of M505-0747, 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 M505-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M505-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M505-0747
  • 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 M505-0747 available by request