K413-0021 Screening compound: ethyl 4-[2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate

K413-0021 Screening compound: ethyl 4-[2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
K413-0021 Screening compound: ethyl 4-[2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0021
ethyl 4-[2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate

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

K413-0021

Molecular Formula

C26H23FN2O3S (C26 H23 FN2 O3 S)

Compound Name

ethyl 4-[2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate

IUPAC name

ethyl 4-[2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc1cn(Cc(cc2)ccc2F)c2c1cccc2)=O)=O

InChI

InChI=1S/C26H23FN2O3S/c1-2-32-26(31)19-9-13-21(14-10-19)28-25(30)17-33-24-16-29(23-6-4-3-5-22(23)24)15-18-7-11-20(27)12-8-18/h3-14,16H,2,15,17H2,1H3,(H,28,30)

InChI Key

CCYUCUYFCJZDQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.596

Distribution Coefficient, logD

5.596

Water Solubility, LogSw

-5.55

Polar Surface Area

45.602

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with K413-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0021?
Check Price and Availability of K413-0021, 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 K413-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0021
  • 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 K413-0021 available by request