F340-0277 Screening compound: 3-chloro-N-[(Z)-N'-(2-ethoxyphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]benzamide

F340-0277 Screening compound: 3-chloro-N-[(Z)-N'-(2-ethoxyphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]benzamide
F340-0277 Screening compound: 3-chloro-N-[(Z)-N'-(2-ethoxyphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F340-0277
3-chloro-N-[(Z)-N'-(2-ethoxyphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]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

F340-0277

Molecular Formula

C24H28ClN5O2 (C24 H28 ClN5 O2)

Compound Name

3-chloro-N-[(Z)-N'-(2-ethoxyphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]benzamide

IUPAC name

3-chloro-N-[(Z)-N'-(2-ethoxyphenyl)-N-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]benzamide

SMILES

CCn1nc(C)c(CN/C(/NC(c2cccc(Cl)c2)=O)=N/c(cccc2)c2OCC)c1C

InChI

InChI=1S/C24H28ClN5O2/c1-5-30-17(4)20(16(3)29-30)15-26-24(27-21-12-7-8-13-22(21)32-6-2)28-23(31)18-10-9-11-19(25)14-18/h7-14H,5-6,15H2,1-4H3,(H2,26,27,28,31)

InChI Key

CYFXDPFYGVWIKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14948884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.157

Distribution Coefficient, logD

3.876

Water Solubility, LogSw

-4.48

Polar Surface Area

62.642

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

F340-0277 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 F340-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F340-0277?
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What is the minimum amount of F340-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F340-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F340-0277
  • 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 F340-0277 available by request