H024-0091 Screening compound: 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxamide

H024-0091 Screening compound: 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
H024-0091 Screening compound: 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H024-0091
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-chlorophenyl)-3-methyl-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

H024-0091

Molecular Formula

C19H16ClN3O4 (C19 H16 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(NCc(cc2)cc3c2OCO3)c1C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C19H16ClN3O4/c1-11-17(18(24)22-14-5-3-13(20)4-6-14)19(27-23-11)21-9-12-2-7-15-16(8-12)26-10-25-15/h2-8,21H,9-10H2,1H3,(H,22,24)

InChI Key

JPVZICMKBXZAMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.596

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-4.52

Polar Surface Area

73.344

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with H024-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H024-0091?
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What is the minimum amount of H024-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H024-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H024-0091
  • 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 H024-0091 available by request