F340-0657 Screening compound: N-[(E)-N'-(5-chloro-2-methoxyphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-2,3-dimethoxybenzamide

F340-0657 Screening compound: N-[(E)-N'-(5-chloro-2-methoxyphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-2,3-dimethoxybenzamide
F340-0657 Screening compound: N-[(E)-N'-(5-chloro-2-methoxyphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-2,3-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F340-0657
N-[(E)-N'-(5-chloro-2-methoxyphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-2,3-dimethoxybenzamide

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

F340-0657

Molecular Formula

C25H30ClN5O4 (C25 H30 ClN5 O4)

Compound Name

N-[(E)-N'-(5-chloro-2-methoxyphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-2,3-dimethoxybenzamide

IUPAC name

N-[(E)-N'-(5-chloro-2-methoxyphenyl)-N-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-23-dimethoxybenzamide

SMILES

CCn1nc(C)c(CN/C(/NC(c(cccc2OC)c2OC)=O)=N\c(cc(cc2)Cl)c2OC)c1C

InChI

InChI=1S/C25H30ClN5O4/c1-7-31-16(3)19(15(2)30-31)14-27-25(28-20-13-17(26)11-12-21(20)33-4)29-24(32)18-9-8-10-22(34-5)23(18)35-6/h8-13H,7,14H2,1-6H3,(H2,27,28,29,32)

InChI Key

PONWYQCAIAODLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14949065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.409

Distribution Coefficient, logD

3.329

Water Solubility, LogSw

-3.87

Polar Surface Area

78.410

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

F340-0657 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F340-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F340-0657?
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What is the minimum amount of F340-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F340-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F340-0657
  • 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 F340-0657 available by request