8015-4843 Screening compound: 6-chloro-3-[4-(4-ethylphenyl)piperazine-1-carbonyl]-2H-chromen-2-one

8015-4843 Screening compound: 6-chloro-3-[4-(4-ethylphenyl)piperazine-1-carbonyl]-2H-chromen-2-one
8015-4843 Screening compound: 6-chloro-3-[4-(4-ethylphenyl)piperazine-1-carbonyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4843
6-chloro-3-[4-(4-ethylphenyl)piperazine-1-carbonyl]-2H-chromen-2-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

8015-4843

Molecular Formula

C22H21ClN2O3 (C22 H21 ClN2 O3)

Compound Name

6-chloro-3-[4-(4-ethylphenyl)piperazine-1-carbonyl]-2H-chromen-2-one

IUPAC name

6-chloro-3-[4-(4-ethylphenyl)piperazine-1-carbonyl]-2H-chromen-2-one

SMILES

CCc(cc1)ccc1N(CC1)CCN1C(C1=Cc(cc(cc2)Cl)c2OC1=O)=O

InChI

InChI=1S/C22H21ClN2O3/c1-2-15-3-6-18(7-4-15)24-9-11-25(12-10-24)21(26)19-14-16-13-17(23)5-8-20(16)28-22(19)27/h3-8,13-14H,2,9-12H2,1H3

InChI Key

RJXIFZCPROLXKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.387

Distribution Coefficient, logD

4.387

Water Solubility, LogSw

-4.64

Polar Surface Area

41.069

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8015-4843 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 8015-4843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4843?
Check Price and Availability of 8015-4843, 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 8015-4843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4843
  • 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 8015-4843 available by request