Z318-0581 Screening compound: N-(3-methyl-4-phenyl-1H-pyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Z318-0581 Screening compound: N-(3-methyl-4-phenyl-1H-pyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Z318-0581 Screening compound: N-(3-methyl-4-phenyl-1H-pyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Z318-0581
N-(3-methyl-4-phenyl-1H-pyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-2-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

Z318-0581

Molecular Formula

C19H17N3O3 (C19 H17 N3 O3)

Compound Name

N-(3-methyl-4-phenyl-1H-pyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

N-(3-methyl-4-phenyl-1H-pyrazol-5-yl)-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

Cc1n[nH]c(NC(C2Oc(cccc3)c3OC2)=O)c1-c1ccccc1

InChI

InChI=1S/C19H17N3O3/c1-12-17(13-7-3-2-4-8-13)18(22-21-12)20-19(23)16-11-24-14-9-5-6-10-15(14)25-16/h2-10,16H,11H2,1H3,(H2,20,21,22,23)/t16-/m0/s1

InChI Key

ZTRQWLKPDFQAJV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27638461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.052

Distribution Coefficient, logD

3.051

Water Solubility, LogSw

-3.37

Polar Surface Area

62.473

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

Z318-0581 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Z318-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z318-0581?
Check Price and Availability of Z318-0581, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Z318-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z318-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z318-0581
  • 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 Z318-0581 available by request