8622-1118 Screening compound: 5-[1-(4-chloro-3-methylphenoxy)ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

8622-1118 Screening compound: 5-[1-(4-chloro-3-methylphenoxy)ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
8622-1118 Screening compound: 5-[1-(4-chloro-3-methylphenoxy)ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8622-1118
5-[1-(4-chloro-3-methylphenoxy)ethyl]-3-(3,4-dimethoxyphenyl)-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

8622-1118

Molecular Formula

C19H19ClN2O4 (C19 H19 ClN2 O4)

Compound Name

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

IUPAC name

5-[1-(4-chloro-3-methylphenoxy)ethyl]-3-(34-dimethoxyphenyl)-124-oxadiazole

SMILES

CC(c1nc(-c(cc2)cc(OC)c2OC)no1)Oc(cc1)cc(C)c1Cl

InChI

InChI=1S/C19H19ClN2O4/c1-11-9-14(6-7-15(11)20)25-12(2)19-21-18(22-26-19)13-5-8-16(23-3)17(10-13)24-4/h5-10,12H,1-4H3/t12-/m0/s1

InChI Key

ZVELWTINVYFKKS-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD07126638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.599

Distribution Coefficient, logD

5.599

Water Solubility, LogSw

-6.15

Polar Surface Area

53.694

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

-4.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

8622-1118 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8622-1118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8622-1118?
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What is the minimum amount of 8622-1118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8622-1118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8622-1118
  • 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 8622-1118 available by request