8622-1101 Screening compound: 3-(3-bromophenyl)-5-[1-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole

8622-1101 Screening compound: 3-(3-bromophenyl)-5-[1-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole
8622-1101 Screening compound: 3-(3-bromophenyl)-5-[1-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8622-1101
3-(3-bromophenyl)-5-[1-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole

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

8622-1101

Molecular Formula

C17H15BrN2O2 (C17 H15 BrN2 O2)

Compound Name

3-(3-bromophenyl)-5-[1-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole

IUPAC name

3-(3-bromophenyl)-5-[1-(3-methylphenoxy)ethyl]-124-oxadiazole

SMILES

CC(c1nc(-c2cccc(Br)c2)no1)Oc1cc(C)ccc1

InChI

InChI=1S/C17H15BrN2O2/c1-11-5-3-8-15(9-11)21-12(2)17-19-16(20-22-17)13-6-4-7-14(18)10-13/h3-10,12H,1-2H3/t12-/m0/s1

InChI Key

TVGXWMRHJJEYHW-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD07358712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.036

Distribution Coefficient, logD

6.036

Water Solubility, LogSw

-5.70

Polar Surface Area

38.433

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-6.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

8622-1101 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8622-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8622-1101?
Check Price and Availability of 8622-1101, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8622-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8622-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8622-1101
  • 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 8622-1101 available by request