G026-0405 Screening compound: 3-(3,4-dimethoxyphenyl)-5-{5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole

G026-0405 Screening compound: 3-(3,4-dimethoxyphenyl)-5-{5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole
G026-0405 Screening compound: 3-(3,4-dimethoxyphenyl)-5-{5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G026-0405
3-(3,4-dimethoxyphenyl)-5-{5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-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

G026-0405

Molecular Formula

C20H16F3N5O3 (C20 H16 F3 N5 O3)

Compound Name

3-(3,4-dimethoxyphenyl)-5-{5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole

IUPAC name

3-(34-dimethoxyphenyl)-5-{5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-123-triazol-4-yl}-124-oxadiazole

SMILES

Cc1c(-c2nc(-c(cc3)cc(OC)c3OC)no2)nnn1-c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C20H16F3N5O3/c1-11-17(25-27-28(11)14-6-4-5-13(10-14)20(21,22)23)19-24-18(26-31-19)12-7-8-15(29-2)16(9-12)30-3/h4-10H,1-3H3

InChI Key

QVARRLLDJOUUDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.231

Distribution Coefficient, logD

4.231

Water Solubility, LogSw

-4.57

Polar Surface Area

73.748

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G026-0405 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G026-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G026-0405?
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What is the minimum amount of G026-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G026-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G026-0405
  • 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 G026-0405 available by request