D491-4242 Screening compound: 6-chloro-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-chromen-4-one

D491-4242 Screening compound: 6-chloro-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-chromen-4-one
D491-4242 Screening compound: 6-chloro-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4242
6-chloro-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-chromen-4-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

D491-4242

Molecular Formula

C21H20ClN3O3 (C21 H20 ClN3 O3)

Compound Name

6-chloro-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-chromen-4-one

IUPAC name

6-chloro-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-chromen-4-one

SMILES

O=C(C(Oc(cc1)c2cc1Cl)=CC2=O)N1CCN(CCc2ccncc2)CC1

InChI

InChI=1S/C21H20ClN3O3/c22-16-1-2-19-17(13-16)18(26)14-20(28-19)21(27)25-11-9-24(10-12-25)8-5-15-3-6-23-7-4-15/h1-4,6-7,13-14H,5,8-12H2

InChI Key

HQZLBBMXOGJACM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.335

Distribution Coefficient, logD

2.319

Water Solubility, LogSw

-3.48

Polar Surface Area

51.652

Acid Dissociation Constant (pKa)

27.29

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D491-4242 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D491-4242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4242?
Check Price and Availability of D491-4242, 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 D491-4242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4242
  • 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 D491-4242 available by request