8017-3462 Screening compound: 1-[4-(2-fluorophenyl)piperazino]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]-2-propanol

8017-3462 Screening compound: 1-[4-(2-fluorophenyl)piperazino]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]-2-propanol
8017-3462 Screening compound: 1-[4-(2-fluorophenyl)piperazino]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3462
1-[4-(2-fluorophenyl)piperazino]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]-2-propanol

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

8017-3462

Molecular Formula

C21H23FN4O3 (C21 H23 FN4 O3)

Compound Name

1-[4-(2-fluorophenyl)piperazino]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]-2-propanol

IUPAC name

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[3-(134-oxadiazol-2-yl)phenoxy]propan-2-ol

SMILES

OC(CN(CC1)CCN1c(cccc1)c1F)COc1cc(-c2nnco2)ccc1

InChI

InChI=1S/C21H23FN4O3/c22-19-6-1-2-7-20(19)26-10-8-25(9-11-26)13-17(27)14-28-18-5-3-4-16(12-18)21-24-23-15-29-21/h1-7,12,15,17,27H,8-11,13-14H2/t17-/m0/s1

InChI Key

KIGFUILPPADDJJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06016130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.381

Distribution Coefficient, logD

2.356

Water Solubility, LogSw

-2.49

Polar Surface Area

62.604

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8017-3462 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-3462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3462?
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What is the minimum amount of 8017-3462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3462
  • 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 8017-3462 available by request