F340-2008 Screening compound: N-[(E)-N'-(2-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-3,5-dimethylbenzamide

F340-2008 Screening compound: N-[(E)-N'-(2-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-3,5-dimethylbenzamide
F340-2008 Screening compound: N-[(E)-N'-(2-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-3,5-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F340-2008
N-[(E)-N'-(2-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-3,5-dimethylbenzamide

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

F340-2008

Molecular Formula

C23H26FN5O (C23 H26 FN5 O)

Compound Name

N-[(E)-N'-(2-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-3,5-dimethylbenzamide

IUPAC name

N-[(E)-N'-(2-fluorophenyl)-N-[(135-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-35-dimethylbenzamide

SMILES

Cc1c(CN/C(/NC(c2cc(C)cc(C)c2)=O)=N\c(cccc2)c2F)c(C)nn1C

InChI

InChI=1S/C23H26FN5O/c1-14-10-15(2)12-18(11-14)22(30)27-23(26-21-9-7-6-8-20(21)24)25-13-19-16(3)28-29(5)17(19)4/h6-12H,13H2,1-5H3,(H2,25,26,27,30)

InChI Key

IQPCCWFOVJWVOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14949547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.482

Distribution Coefficient, logD

2.869

Water Solubility, LogSw

-3.99

Polar Surface Area

55.993

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

F340-2008 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 F340-2008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F340-2008?
Check Price and Availability of F340-2008, 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 F340-2008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F340-2008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F340-2008
  • 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 F340-2008 available by request