G684-0731 Screening compound: 5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-[(pyridin-4-yl)methyl]-1H-1,2,3-triazole-4-carboxamide

G684-0731 Screening compound: 5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-[(pyridin-4-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
G684-0731 Screening compound: 5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-[(pyridin-4-yl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G684-0731
5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-[(pyridin-4-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

G684-0731

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-4-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-4-yl)methyl]-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(NCc2ccncc2)=O)nnn1Cc1c(C)oc(-c2ccc(C)cc2)n1

InChI

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

InChI Key

KCDFRBXHJUCMJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27151327

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

2.000

Distribution Coefficient, logD

1.997

Water Solubility, LogSw

-2.26

Polar Surface Area

78.909

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G684-0731 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G684-0731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G684-0731?
Check Price and Availability of G684-0731, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G684-0731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G684-0731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G684-0731
  • 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 G684-0731 available by request