8018-4819 Screening compound: N-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methyl)-2H-1,3-benzodioxole-5-carboxamide

8018-4819 Screening compound: N-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methyl)-2H-1,3-benzodioxole-5-carboxamide
8018-4819 Screening compound: N-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4819
N-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methyl)-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

8018-4819

Molecular Formula

C19H16ClN3O3 (C19 H16 ClN3 O3)

Compound Name

N-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methyl)-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)NCc1ccc(Cn2ncc(Cl)c2)cc1

InChI

InChI=1S/C19H16ClN3O3/c20-16-9-22-23(11-16)10-14-3-1-13(2-4-14)8-21-19(24)15-5-6-17-18(7-15)26-12-25-17/h1-7,9,11H,8,10,12H2,(H,21,24)

InChI Key

YUSYQFIZKWMBRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.879

Distribution Coefficient, logD

2.879

Water Solubility, LogSw

-3.64

Polar Surface Area

56.273

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

8018-4819 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-4819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4819?
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What is the minimum amount of 8018-4819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4819
  • 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 8018-4819 available by request