8020-3717 Screening compound: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-5-carboxamide

8020-3717 Screening compound: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-5-carboxamide
8020-3717 Screening compound: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3717
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-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

8020-3717

Molecular Formula

C20H18FN3O3 (C20 H18 FN3 O3)

Compound Name

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-5-carboxamide

IUPAC name

4-(23-dihydro-14-benzodioxin-6-yl)-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-5-carboxamide

SMILES

Cn1ncc(-c(cc2)cc3c2OCCO3)c1C(NCc(cc1)ccc1F)=O

InChI

InChI=1S/C20H18FN3O3/c1-24-19(20(25)22-11-13-2-5-15(21)6-3-13)16(12-23-24)14-4-7-17-18(10-14)27-9-8-26-17/h2-7,10,12H,8-9,11H2,1H3,(H,22,25)

InChI Key

YJQQYHDKDYTCIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.105

Distribution Coefficient, logD

2.105

Water Solubility, LogSw

-2.98

Polar Surface Area

53.719

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8020-3717 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8020-3717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3717?
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What is the minimum amount of 8020-3717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3717
  • 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 8020-3717 available by request