F340-0310 Screening compound: N-[(E)-N'-(3-bromophenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-3-chlorobenzamide

F340-0310 Screening compound: N-[(E)-N'-(3-bromophenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-3-chlorobenzamide
F340-0310 Screening compound: N-[(E)-N'-(3-bromophenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-3-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F340-0310
N-[(E)-N'-(3-bromophenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-3-chlorobenzamide

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

F340-0310

Molecular Formula

C22H23BrClN5O (C22 H23 BrClN5 O)

Compound Name

N-[(E)-N'-(3-bromophenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-3-chlorobenzamide

IUPAC name

N-[(E)-N'-(3-bromophenyl)-N-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-3-chlorobenzamide

SMILES

CCn1nc(C)c(CN/C(/NC(c2cc(Cl)ccc2)=O)=N\c2cccc(Br)c2)c1C

InChI

InChI=1S/C22H23BrClN5O/c1-4-29-15(3)20(14(2)28-29)13-25-22(26-19-10-6-8-17(23)12-19)27-21(30)16-7-5-9-18(24)11-16/h5-12H,4,13H2,1-3H3,(H2,25,26,27,30)

InChI Key

SAXUKHXOMUHONS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14948901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.764

Distribution Coefficient, logD

4.539

Water Solubility, LogSw

-4.79

Polar Surface Area

56.129

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

F340-0310 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 F340-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F340-0310?
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What is the minimum amount of F340-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F340-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F340-0310
  • 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 F340-0310 available by request