F780-6554 Screening compound: N-{2-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-1-methyl-1H-pyrazole-5-carboxamide

F780-6554 Screening compound: N-{2-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-1-methyl-1H-pyrazole-5-carboxamide
F780-6554 Screening compound: N-{2-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-1-methyl-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F780-6554
N-{2-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-1-methyl-1H-pyrazole-5-carboxamide

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

F780-6554

Molecular Formula

C20H19N5O (C20 H19 N5 O)

Compound Name

N-{2-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-1-methyl-1H-pyrazole-5-carboxamide

IUPAC name

N-{2-[2-(1H-13-benzodiazol-2-yl)ethyl]phenyl}-1-methyl-1H-pyrazole-5-carboxamide

SMILES

Cn1nccc1C(Nc1c(CCc2nc(cccc3)c3[nH]2)cccc1)=O

InChI

InChI=1S/C20H19N5O/c1-25-18(12-13-21-25)20(26)24-15-7-3-2-6-14(15)10-11-19-22-16-8-4-5-9-17(16)23-19/h2-9,12-13H,10-11H2,1H3,(H,22,23)(H,24,26)

InChI Key

VSOXPPQQVJVKFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14966372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.240

Distribution Coefficient, logD

3.180

Water Solubility, LogSw

-3.46

Polar Surface Area

56.292

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

F780-6554 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 F780-6554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F780-6554?
Check Price and Availability of F780-6554, 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 F780-6554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F780-6554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F780-6554
  • 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 F780-6554 available by request