8011-1537 Screening compound: 1-[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one

8011-1537 Screening compound: 1-[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
8011-1537 Screening compound: 1-[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1537
1-[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1-(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

8011-1537

Molecular Formula

C25H21FN4O (C25 H21 FN4 O)

Compound Name

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

IUPAC name

1-[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1-(4-methylphenyl)-45-dihydro-1H-124-triazol-3-yl]ethan-1-one

SMILES

CC(C(N(C1c2c[nH]c3c2cccc3)c(cc2)ccc2F)=NN1c1ccc(C)cc1)=O

InChI

InChI=1S/C25H21FN4O/c1-16-7-11-20(12-8-16)30-25(22-15-27-23-6-4-3-5-21(22)23)29(24(28-30)17(2)31)19-13-9-18(26)10-14-19/h3-15,25,27H,1-2H3/t25-/m0/s1

InChI Key

BLOIOEJSTVAHGU-VWLOTQADSA-N

MDL Number (MFCD)

MFCD02070592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.692

Distribution Coefficient, logD

5.692

Water Solubility, LogSw

-5.79

Polar Surface Area

40.554

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

8011-1537 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

MDM2-p53 interaction inhibitors Library (21687 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 8011-1537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1537?
Check Price and Availability of 8011-1537, 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 8011-1537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1537
  • 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 8011-1537 available by request