8018-5830 Screening compound: 1-cyclopropyl-1-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethan-1-ol

8018-5830 Screening compound: 1-cyclopropyl-1-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethan-1-ol
8018-5830 Screening compound: 1-cyclopropyl-1-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5830
1-cyclopropyl-1-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethan-1-ol

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

8018-5830

Molecular Formula

C15H17NO3 (C15 H17 NO3)

Compound Name

1-cyclopropyl-1-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethan-1-ol

IUPAC name

1-cyclopropyl-1-[3-(4-methoxyphenyl)-12-oxazol-5-yl]ethan-1-ol

SMILES

CC(C1CC1)(c1cc(-c(cc2)ccc2OC)no1)O

InChI

InChI=1S/C15H17NO3/c1-15(17,11-5-6-11)14-9-13(16-19-14)10-3-7-12(18-2)8-4-10/h3-4,7-9,11,17H,5-6H2,1-2H3/t15-/m0/s1

InChI Key

USCXGNBFWQNMKH-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD07800716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.685

Distribution Coefficient, logD

3.685

Water Solubility, LogSw

-3.92

Polar Surface Area

44.963

Acid Dissociation Constant (pKa)

15.43

Base Dissociation Constant (pKb)

-5.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

8018-5830 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-5830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5830?
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What is the minimum amount of 8018-5830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5830
  • 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 8018-5830 available by request