M414-0527 Screening compound: N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}-3-(trifluoromethyl)benzamide

M414-0527 Screening compound: N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}-3-(trifluoromethyl)benzamide
M414-0527 Screening compound: N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M414-0527
N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}-3-(trifluoromethyl)benzamide

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

M414-0527

Molecular Formula

C19H18F3N3O (C19 H18 F3 N3 O)

Compound Name

N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}-3-(trifluoromethyl)benzamide

IUPAC name

N-{[1-(propan-2-yl)-1H-13-benzodiazol-5-yl]methyl}-3-(trifluoromethyl)benzamide

SMILES

CC(C)n1c(ccc(CNC(c2cccc(C(F)(F)F)c2)=O)c2)c2nc1

InChI

InChI=1S/C19H18F3N3O/c1-12(2)25-11-24-16-8-13(6-7-17(16)25)10-23-18(26)14-4-3-5-15(9-14)19(20,21)22/h3-9,11-12H,10H2,1-2H3,(H,23,26)

InChI Key

QPJRKKMOILZVRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27540449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.737

Distribution Coefficient, logD

3.737

Water Solubility, LogSw

-4.12

Polar Surface Area

35.899

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

M414-0527 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

SmartTM Library (51161 compounds)

Antibacterial Compounds Library (13827 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with M414-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M414-0527?
Check Price and Availability of M414-0527, 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 M414-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M414-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M414-0527
  • 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 M414-0527 available by request