8017-2821 Screening compound: N~1~-{2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(trifluoromethyl)benzamide

8017-2821 Screening compound: N~1~-{2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(trifluoromethyl)benzamide
8017-2821 Screening compound: N~1~-{2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2821
N~1~-{2-[5-(2-bromo-5-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

8017-2821

Molecular Formula

C23H15BrF3N3O3 (C23 H15 BrF3 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc(-c2nnc(-c(cccc3)c3NC(c3cc(C(F)(F)F)ccc3)=O)o2)c1Br

InChI

InChI=1S/C23H15BrF3N3O3/c1-32-15-9-10-18(24)17(12-15)22-30-29-21(33-22)16-7-2-3-8-19(16)28-20(31)13-5-4-6-14(11-13)23(25,26)27/h2-12H,1H3,(H,28,31)

InChI Key

WUUIFWFZKGUZNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.29

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

5.429

Distribution Coefficient, logD

5.429

Water Solubility, LogSw

-5.57

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

References: we are preparing a list of scientific research reports with 8017-2821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2821?
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What is the minimum amount of 8017-2821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2821
  • 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 8017-2821 available by request