J501-0038 Screening compound: 4-(1H-indol-3-yl)-1-{4-[(3-methoxy-2-pyrazinyl)amino]piperidino}-1-butanone

J501-0038 Screening compound: 4-(1H-indol-3-yl)-1-{4-[(3-methoxy-2-pyrazinyl)amino]piperidino}-1-butanone
J501-0038 Screening compound: 4-(1H-indol-3-yl)-1-{4-[(3-methoxy-2-pyrazinyl)amino]piperidino}-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound J501-0038
4-(1H-indol-3-yl)-1-{4-[(3-methoxy-2-pyrazinyl)amino]piperidino}-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

J501-0038

Molecular Formula

C22H27N5O2 (C22 H27 N5 O2)

Compound Name

4-(1H-indol-3-yl)-1-{4-[(3-methoxy-2-pyrazinyl)amino]piperidino}-1-butanone

IUPAC name

4-(1H-indol-3-yl)-1-{4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl}butan-1-one

SMILES

COc1nccnc1NC(CC1)CCN1C(CCCc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C22H27N5O2/c1-29-22-21(23-11-12-24-22)26-17-9-13-27(14-10-17)20(28)8-4-5-16-15-25-19-7-3-2-6-18(16)19/h2-3,6-7,11-12,15,17,25H,4-5,8-10,13-14H2,1H3,(H,23,26)

InChI Key

XKMKOJGRPLLDAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32223763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.061

Distribution Coefficient, logD

3.061

Water Solubility, LogSw

-3.18

Polar Surface Area

63.035

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

J501-0038 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with J501-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J501-0038?
Check Price and Availability of J501-0038, 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 J501-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J501-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J501-0038
  • 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 J501-0038 available by request