5868-0215 Screening compound: 1-[4-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one

5868-0215 Screening compound: 1-[4-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
5868-0215 Screening compound: 1-[4-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5868-0215
1-[4-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one

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

5868-0215

Molecular Formula

C26H27N3O2 (C26 H27 N3 O2)

Compound Name

1-[4-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one

IUPAC name

1-[4-(34-dimethylphenyl)-1-(4-methoxyphenyl)-5-(4-methylphenyl)-45-dihydro-1H-124-triazol-3-yl]ethan-1-one

SMILES

CC(C(N(C1c2ccc(C)cc2)c2cc(C)c(C)cc2)=NN1c(cc1)ccc1OC)=O

InChI

InChI=1S/C26H27N3O2/c1-17-6-9-21(10-7-17)26-28(23-11-8-18(2)19(3)16-23)25(20(4)30)27-29(26)22-12-14-24(31-5)15-13-22/h6-16,26H,1-5H3/t26-/m1/s1

InChI Key

KUPPFNPMATTWFS-AREMUKBSSA-N

MDL Number (MFCD)

MFCD02623382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.634

Distribution Coefficient, logD

6.634

Water Solubility, LogSw

-5.62

Polar Surface Area

38.227

Acid Dissociation Constant (pKa)

17.62

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

5868-0215 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
Targets:
  • Others
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 5868-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5868-0215?
Check Price and Availability of 5868-0215, 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 5868-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5868-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5868-0215
  • 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 5868-0215 available by request