G684-0921 Screening compound: 5-methyl-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-{[4-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide

G684-0921 Screening compound: 5-methyl-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-{[4-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
G684-0921 Screening compound: 5-methyl-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-{[4-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G684-0921
5-methyl-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-{[4-(trifluoromethyl)phenyl]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

G684-0921

Molecular Formula

C24H22F3N5O2 (C24 H22 F3 N5 O2)

Compound Name

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

IUPAC name

5-methyl-1-{[5-methyl-2-(3-methylphenyl)-13-oxazol-4-yl]methyl}-N-{[4-(trifluoromethyl)phenyl]methyl}-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(NCc2ccc(C(F)(F)F)cc2)=O)nnn1Cc1c(C)oc(-c2cc(C)ccc2)n1

InChI

InChI=1S/C24H22F3N5O2/c1-14-5-4-6-18(11-14)23-29-20(16(3)34-23)13-32-15(2)21(30-31-32)22(33)28-12-17-7-9-19(10-8-17)24(25,26)27/h4-11H,12-13H2,1-3H3,(H,28,33)

InChI Key

AOXSNUBDRCAEAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27151339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.097

Distribution Coefficient, logD

4.097

Water Solubility, LogSw

-4.28

Polar Surface Area

69.481

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G684-0921 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G684-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G684-0921?
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What is the minimum amount of G684-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G684-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G684-0921
  • 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 G684-0921 available by request