D349-3842 Screening compound: 1-(2-fluorophenyl)-4-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperazine

D349-3842 Screening compound: 1-(2-fluorophenyl)-4-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperazine
D349-3842 Screening compound: 1-(2-fluorophenyl)-4-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-3842
1-(2-fluorophenyl)-4-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperazine

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

D349-3842

Molecular Formula

C24H22FN5O (C24 H22 FN5 O)

Compound Name

1-(2-fluorophenyl)-4-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperazine

IUPAC name

1-(2-fluorophenyl)-4-{3-[3-(3-methylphenyl)-124-oxadiazol-5-yl]pyridin-2-yl}piperazine

SMILES

Cc1cccc(-c2noc(-c3cccnc3N(CC3)CCN3c(cccc3)c3F)n2)c1

InChI

InChI=1S/C24H22FN5O/c1-17-6-4-7-18(16-17)22-27-24(31-28-22)19-8-5-11-26-23(19)30-14-12-29(13-15-30)21-10-3-2-9-20(21)25/h2-11,16H,12-15H2,1H3

InChI Key

IPKLAAAXZITGHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14821824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.672

Distribution Coefficient, logD

5.659

Water Solubility, LogSw

-5.62

Polar Surface Area

47.037

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

D349-3842 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D349-3842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-3842?
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What is the minimum amount of D349-3842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-3842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-3842
  • 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 D349-3842 available by request