K413-0011 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)ethan-1-one

K413-0011 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)ethan-1-one
K413-0011 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0011
1-(2,3-dihydro-1H-indol-1-yl)-2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)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

K413-0011

Molecular Formula

C25H21FN2OS (C25 H21 FN2 OS)

Compound Name

1-(2,3-dihydro-1H-indol-1-yl)-2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)ethan-1-one

IUPAC name

1-(23-dihydro-1H-indol-1-yl)-2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)ethan-1-one

SMILES

O=C(CSc1cn(Cc(cc2)ccc2F)c2c1cccc2)N(CC1)c2c1cccc2

InChI

InChI=1S/C25H21FN2OS/c26-20-11-9-18(10-12-20)15-27-16-24(21-6-2-4-8-23(21)27)30-17-25(29)28-14-13-19-5-1-3-7-22(19)28/h1-12,16H,13-15,17H2

InChI Key

GJNGWLPWRATASB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.094

Distribution Coefficient, logD

5.094

Water Solubility, LogSw

-5.14

Polar Surface Area

17.122

Acid Dissociation Constant (pKa)

23.02

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with K413-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0011?
Check Price and Availability of K413-0011, 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 K413-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0011
  • 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 K413-0011 available by request