8017-2822 Screening compound: N~1~-{2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(trifluoromethyl)benzamide

8017-2822 Screening compound: N~1~-{2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(trifluoromethyl)benzamide
8017-2822 Screening compound: N~1~-{2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2822
N~1~-{2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(trifluoromethyl)benzamide

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

8017-2822

Molecular Formula

C23H16F3N3O3 (C23 H16 F3 N3 O3)

Compound Name

N~1~-{2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(trifluoromethyl)benzamide

IUPAC name

N-{2-[5-(3-methoxyphenyl)-134-oxadiazol-2-yl]phenyl}-3-(trifluoromethyl)benzamide

SMILES

COc1cccc(-c2nnc(-c(cccc3)c3NC(c3cccc(C(F)(F)F)c3)=O)o2)c1

InChI

InChI=1S/C23H16F3N3O3/c1-31-17-9-5-7-15(13-17)21-28-29-22(32-21)18-10-2-3-11-19(18)27-20(30)14-6-4-8-16(12-14)23(24,25)26/h2-13H,1H3,(H,27,30)

InChI Key

HPEAWXDLOMUHML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.958

Distribution Coefficient, logD

4.958

Water Solubility, LogSw

-4.64

Polar Surface Area

60.420

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8017-2822 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-2822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2822?
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What is the minimum amount of 8017-2822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2822
  • 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 8017-2822 available by request