D041-0121 Screening compound: 5-[(4-chloro-2-methylphenoxy)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

D041-0121 Screening compound: 5-[(4-chloro-2-methylphenoxy)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
D041-0121 Screening compound: 5-[(4-chloro-2-methylphenoxy)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0121
5-[(4-chloro-2-methylphenoxy)methyl]-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

D041-0121

Molecular Formula

C18H17ClN2O4 (C18 H17 ClN2 O4)

Compound Name

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

IUPAC name

5-[(4-chloro-2-methylphenoxy)methyl]-3-(34-dimethoxyphenyl)-124-oxadiazole

SMILES

Cc(cc(cc1)Cl)c1OCc1nc(-c(cc2)cc(OC)c2OC)no1

InChI

InChI=1S/C18H17ClN2O4/c1-11-8-13(19)5-7-14(11)24-10-17-20-18(21-25-17)12-4-6-15(22-2)16(9-12)23-3/h4-9H,10H2,1-3H3

InChI Key

QYDHCQKTIYQMBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03884631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.8

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

5.133

Distribution Coefficient, logD

5.133

Water Solubility, LogSw

-5.76

Polar Surface Area

54.156

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D041-0121 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Human Receptors Annotated Library (5376 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 D041-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0121?
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What is the minimum amount of D041-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0121
  • 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 D041-0121 available by request