8018-5177 Screening compound: 3-(3-chloro-1,2-oxazol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

8018-5177 Screening compound: 3-(3-chloro-1,2-oxazol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
8018-5177 Screening compound: 3-(3-chloro-1,2-oxazol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5177
3-(3-chloro-1,2-oxazol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

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

8018-5177

Molecular Formula

C14H13ClN2O4 (C14 H13 ClN2 O4)

Compound Name

3-(3-chloro-1,2-oxazol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

IUPAC name

3-(3-chloro-12-oxazol-5-yl)-N-(23-dihydro-14-benzodioxin-6-yl)propanamide

SMILES

O=C(CCc1cc(Cl)no1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C14H13ClN2O4/c15-13-8-10(21-17-13)2-4-14(18)16-9-1-3-11-12(7-9)20-6-5-19-11/h1,3,7-8H,2,4-6H2,(H,16,18)

InChI Key

FFOLGPXITJVKPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.508

Distribution Coefficient, logD

1.508

Water Solubility, LogSw

-2.61

Polar Surface Area

59.784

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8018-5177 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 8018-5177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5177?
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What is the minimum amount of 8018-5177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5177
  • 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 8018-5177 available by request