L259-0448 Screening compound: N-(butan-2-yl)-2-{2-[(2-fluorophenyl)sulfanyl]-1H-indol-3-yl}acetamide

L259-0448 Screening compound: N-(butan-2-yl)-2-{2-[(2-fluorophenyl)sulfanyl]-1H-indol-3-yl}acetamide
L259-0448 Screening compound: N-(butan-2-yl)-2-{2-[(2-fluorophenyl)sulfanyl]-1H-indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L259-0448
N-(butan-2-yl)-2-{2-[(2-fluorophenyl)sulfanyl]-1H-indol-3-yl}acetamide

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

L259-0448

Molecular Formula

C20H21FN2OS (C20 H21 FN2 OS)

Compound Name

N-(butan-2-yl)-2-{2-[(2-fluorophenyl)sulfanyl]-1H-indol-3-yl}acetamide

IUPAC name

N-(butan-2-yl)-2-{2-[(2-fluorophenyl)sulfanyl]-1H-indol-3-yl}acetamide

SMILES

CCC(C)NC(Cc(c(cccc1)c1[nH]1)c1Sc(cccc1)c1F)=O

InChI

InChI=1S/C20H21FN2OS/c1-3-13(2)22-19(24)12-15-14-8-4-6-10-17(14)23-20(15)25-18-11-7-5-9-16(18)21/h4-11,13,23H,3,12H2,1-2H3,(H,22,24)/t13-/m0/s1

InChI Key

XINSCNVPXOWBCZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15121164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.385

Distribution Coefficient, logD

4.385

Water Solubility, LogSw

-4.31

Polar Surface Area

33.360

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

L259-0448 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L259-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L259-0448?
Check Price and Availability of L259-0448, 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 L259-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L259-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L259-0448
  • 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 L259-0448 available by request