8015-1503 Screening compound: (4Z)-4-[(5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYLIDENE]-2-(4-METHYLPHENYL)-4,5-DIHYDRO-1,3-OXAZOL-5-ONE

8015-1503 Screening compound: (4Z)-4-[(5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYLIDENE]-2-(4-METHYLPHENYL)-4,5-DIHYDRO-1,3-OXAZOL-5-ONE
8015-1503 Screening compound: (4Z)-4-[(5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYLIDENE]-2-(4-METHYLPHENYL)-4,5-DIHYDRO-1,3-OXAZOL-5-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1503
(4Z)-4-[(5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYLIDENE]-2-(4-METHYLPHENYL)-4,5-DIHYDRO-1,3-OXAZOL-5-ONE

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

8015-1503

Molecular Formula

C21H16ClN3O2 (C21 H16 ClN3 O2)

Compound Name

(4Z)-4-[(5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYLIDENE]-2-(4-METHYLPHENYL)-4,5-DIHYDRO-1,3-OXAZOL-5-ONE

IUPAC name

n/a

SMILES

Cc(c(/C=C1\N=C(c2ccc(C)cc2)OC1=O)c1Cl)nn1-c1ccccc1

InChI

InChI=1S/C21H16ClN3O2/c1-13-8-10-15(11-9-13)20-23-18(21(26)27-20)12-17-14(2)24-25(19(17)22)16-6-4-3-5-7-16/h3-12H,1-2H3

InChI Key

SCSFUTJKMIIVIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02983576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.133

Distribution Coefficient, logD

4.133

Water Solubility, LogSw

-4.54

Polar Surface Area

45.175

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8015-1503 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-1503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1503?
Check Price and Availability of 8015-1503, 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 8015-1503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1503
  • 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 8015-1503 available by request