K808-0978 Screening compound: 1-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one

K808-0978 Screening compound: 1-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
K808-0978 Screening compound: 1-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K808-0978
1-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-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

K808-0978

Molecular Formula

C22H24FN3O3S (C22 H24 FN3 O3 S)

Compound Name

1-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one

IUPAC name

1-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one

SMILES

O=C(CCCc1c[nH]c2c1cccc2)N(CC1)CCN1S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C22H24FN3O3S/c23-18-8-10-19(11-9-18)30(28,29)26-14-12-25(13-15-26)22(27)7-3-4-17-16-24-21-6-2-1-5-20(17)21/h1-2,5-6,8-11,16,24H,3-4,7,12-15H2

InChI Key

KTJMNWZRSVCJIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09853760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.085

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-3.41

Polar Surface Area

57.749

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

K808-0978 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K808-0978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K808-0978?
Check Price and Availability of K808-0978, 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 K808-0978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K808-0978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K808-0978
  • 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 K808-0978 available by request