H024-0028F Screening compound: N-(1,3-BENZODIOXOL-5-YLMETHYL)-N-{3-[5-(3-BROMOPHENYL)-4H-1,2,4-TRIAZOL-3-YL]-1H-PYRAZOL-4-YL}AMINE

H024-0028F Screening compound: N-(1,3-BENZODIOXOL-5-YLMETHYL)-N-{3-[5-(3-BROMOPHENYL)-4H-1,2,4-TRIAZOL-3-YL]-1H-PYRAZOL-4-YL}AMINE
H024-0028F Screening compound: N-(1,3-BENZODIOXOL-5-YLMETHYL)-N-{3-[5-(3-BROMOPHENYL)-4H-1,2,4-TRIAZOL-3-YL]-1H-PYRAZOL-4-YL}AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound H024-0028F
N-(1,3-BENZODIOXOL-5-YLMETHYL)-N-{3-[5-(3-BROMOPHENYL)-4H-1,2,4-TRIAZOL-3-YL]-1H-PYRAZOL-4-YL}AMINE

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

H024-0028F

Molecular Formula

C19H15BrN6O2 (C19 H15 BrN6 O2)

Compound Name

N-(1,3-BENZODIOXOL-5-YLMETHYL)-N-{3-[5-(3-BROMOPHENYL)-4H-1,2,4-TRIAZOL-3-YL]-1H-PYRAZOL-4-YL}AMINE

IUPAC name

n/a

SMILES

Brc1cc(-c2nnc(-c3n[nH]cc3NCc(cc3)cc4c3OCO4)[nH]2)ccc1

InChI

InChI=1S/C19H15BrN6O2/c20-13-3-1-2-12(7-13)18-23-19(26-25-18)17-14(9-22-24-17)21-8-11-4-5-15-16(6-11)28-10-27-15/h1-7,9,21H,8,10H2,(H,22,24)(H,23,25,26)

InChI Key

UKOLBAXSNFAIHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.749

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-4.09

Polar Surface Area

84.866

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

H024-0028F in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with H024-0028F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H024-0028F?
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What is the minimum amount of H024-0028F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H024-0028F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H024-0028F
  • 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 H024-0028F available by request