K808-0983 Screening compound: 4-(1H-indol-3-yl)-1-[4-(2-methylallyl)piperazino]-1-butanone

K808-0983 Screening compound: 4-(1H-indol-3-yl)-1-[4-(2-methylallyl)piperazino]-1-butanone
K808-0983 Screening compound: 4-(1H-indol-3-yl)-1-[4-(2-methylallyl)piperazino]-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound K808-0983
4-(1H-indol-3-yl)-1-[4-(2-methylallyl)piperazino]-1-butanone

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

K808-0983

Molecular Formula

C20H27N3O (C20 H27 N3 O)

Compound Name

4-(1H-indol-3-yl)-1-[4-(2-methylallyl)piperazino]-1-butanone

IUPAC name

4-(1H-indol-3-yl)-1-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]butan-1-one

SMILES

CC(CN(CC1)CCN1C(CCCc1c[nH]c2c1cccc2)=O)=C

InChI

InChI=1S/C20H27N3O/c1-16(2)15-22-10-12-23(13-11-22)20(24)9-5-6-17-14-21-19-8-4-3-7-18(17)19/h3-4,7-8,14,21H,1,5-6,9-13,15H2,2H3

InChI Key

FKIGYJLYAFWFRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.953

Distribution Coefficient, logD

2.937

Water Solubility, LogSw

-3.05

Polar Surface Area

30.042

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

K808-0983 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 K808-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K808-0983?
Check Price and Availability of K808-0983, 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 K808-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K808-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K808-0983
  • 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 K808-0983 available by request