H024-0018 Screening compound: 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide

H024-0018 Screening compound: 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide
H024-0018 Screening compound: 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H024-0018
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-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

H024-0018

Molecular Formula

C25H21N3O5 (C25 H21 N3 O5)

Compound Name

5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide

IUPAC name

5-{[(2H-13-benzodioxol-5-yl)methyl]amino}-3-methyl-N-(4-phenoxyphenyl)-12-oxazole-4-carboxamide

SMILES

Cc1noc(NCc(cc2)cc3c2OCO3)c1C(Nc(cc1)ccc1Oc1ccccc1)=O

InChI

InChI=1S/C25H21N3O5/c1-16-23(25(33-28-16)26-14-17-7-12-21-22(13-17)31-15-30-21)24(29)27-18-8-10-20(11-9-18)32-19-5-3-2-4-6-19/h2-13,26H,14-15H2,1H3,(H,27,29)

InChI Key

VELZLKBTVQTBRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.691

Distribution Coefficient, logD

4.691

Water Solubility, LogSw

-4.65

Polar Surface Area

80.092

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

H024-0018 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with H024-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H024-0018?
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What is the minimum amount of H024-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H024-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H024-0018
  • 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 H024-0018 available by request