F340-2727 Screening compound: N-[(E)-N'-(4-bromophenyl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide

F340-2727 Screening compound: N-[(E)-N'-(4-bromophenyl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide
F340-2727 Screening compound: N-[(E)-N'-(4-bromophenyl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F340-2727
N-[(E)-N'-(4-bromophenyl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-2H-1,3-benzodioxole-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

F340-2727

Molecular Formula

C23H24BrN5O3 (C23 H24 BrN5 O3)

Compound Name

N-[(E)-N'-(4-bromophenyl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[(E)-N'-(4-bromophenyl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]-2H-13-benzodioxole-5-carboxamide

SMILES

CCCn1nc(C)c(CN/C(/NC(c(cc2)cc3c2OCO3)=O)=N\c(cc2)ccc2Br)c1

InChI

InChI=1S/C23H24BrN5O3/c1-3-10-29-13-17(15(2)28-29)12-25-23(26-19-7-5-18(24)6-8-19)27-22(30)16-4-9-20-21(11-16)32-14-31-20/h4-9,11,13H,3,10,12,14H2,1-2H3,(H2,25,26,27,30)

InChI Key

ZLQRXLNRIUDRSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14949791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.038

Distribution Coefficient, logD

3.978

Water Solubility, LogSw

-3.88

Polar Surface Area

74.075

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with F340-2727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F340-2727?
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What is the minimum amount of F340-2727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F340-2727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F340-2727
  • 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 F340-2727 available by request