G684-0729 Screening compound: 5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-[(pyridin-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide

G684-0729 Screening compound: 5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-[(pyridin-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
G684-0729 Screening compound: 5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-[(pyridin-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G684-0729
5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-[(pyridin-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide

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

G684-0729

Molecular Formula

C22H22N6O2 (C22 H22 N6 O2)

Compound Name

5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-[(pyridin-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-methyl-1-{[5-methyl-2-(4-methylphenyl)-13-oxazol-4-yl]methyl}-N-[(pyridin-2-yl)methyl]-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(NCc2ncccc2)=O)nnn1Cc1c(C)oc(-c2ccc(C)cc2)n1

InChI

InChI=1S/C22H22N6O2/c1-14-7-9-17(10-8-14)22-25-19(16(3)30-22)13-28-15(2)20(26-27-28)21(29)24-12-18-6-4-5-11-23-18/h4-11H,12-13H2,1-3H3,(H,24,29)

InChI Key

HQKJPTQTDDYHFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27151325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.447

Distribution Coefficient, logD

2.447

Water Solubility, LogSw

-2.69

Polar Surface Area

79.024

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G684-0729 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G684-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G684-0729?
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What is the minimum amount of G684-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G684-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G684-0729
  • 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 G684-0729 available by request