8007-2617 Screening compound: 3-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-indole

8007-2617 Screening compound: 3-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-indole
8007-2617 Screening compound: 3-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-2617
3-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-indole

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

8007-2617

Molecular Formula

C23H18N4S (C23 H18 N4 S)

Compound Name

3-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-indole

IUPAC name

3-{[(45-diphenyl-4H-124-triazol-3-yl)sulfanyl]methyl}-1H-indole

SMILES

C(c1c[nH]c2c1cccc2)Sc1nnc(-c2ccccc2)n1-c1ccccc1

InChI

InChI=1S/C23H18N4S/c1-3-9-17(10-4-1)22-25-26-23(27(22)19-11-5-2-6-12-19)28-16-18-15-24-21-14-8-7-13-20(18)21/h1-15,24H,16H2

InChI Key

JHOJINRCNRUROK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01113622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.387

Distribution Coefficient, logD

5.387

Water Solubility, LogSw

-6.25

Polar Surface Area

34.583

Acid Dissociation Constant (pKa)

18.66

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

8007-2617 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 8007-2617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-2617?
Check Price and Availability of 8007-2617, 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 8007-2617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-2617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-2617
  • 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 8007-2617 available by request