K413-0468 Screening compound: 3-{[(4-bromophenyl)methyl]sulfanyl}-1H-indole

K413-0468 Screening compound: 3-{[(4-bromophenyl)methyl]sulfanyl}-1H-indole
K413-0468 Screening compound: 3-{[(4-bromophenyl)methyl]sulfanyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0468
3-{[(4-bromophenyl)methyl]sulfanyl}-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

K413-0468

Molecular Formula

C15H12BrNS (C15 H12 BrNS)

Compound Name

3-{[(4-bromophenyl)methyl]sulfanyl}-1H-indole

IUPAC name

3-{[(4-bromophenyl)methyl]sulfanyl}-1H-indole

SMILES

Brc1ccc(CSc2c[nH]c3c2cccc3)cc1

InChI

InChI=1S/C15H12BrNS/c16-12-7-5-11(6-8-12)10-18-15-9-17-14-4-2-1-3-13(14)15/h1-9,17H,10H2

InChI Key

FAKINVGKEGQEQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.24

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.787

Distribution Coefficient, logD

4.787

Water Solubility, LogSw

-4.99

Polar Surface Area

9.838

Acid Dissociation Constant (pKa)

17.46

Base Dissociation Constant (pKb)

-3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

K413-0468 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K413-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0468?
Check Price and Availability of K413-0468, 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 K413-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0468
  • 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 K413-0468 available by request