8013-3800 Screening compound: 3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2H-chromen-2-one

8013-3800 Screening compound: 3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2H-chromen-2-one
8013-3800 Screening compound: 3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3800
3-[4-(3,4-dichlorophenyl)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

8013-3800

Molecular Formula

C20H16Cl2N2O3 (C20 H16 Cl2 N2 O3)

Compound Name

3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-2H-chromen-2-one

IUPAC name

3-[4-(34-dichlorophenyl)piperazine-1-carbonyl]-2H-chromen-2-one

SMILES

O=C(C1=Cc(cccc2)c2OC1=O)N(CC1)CCN1c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C20H16Cl2N2O3/c21-16-6-5-14(12-17(16)22)23-7-9-24(10-8-23)19(25)15-11-13-3-1-2-4-18(13)27-20(15)26/h1-6,11-12H,7-10H2

InChI Key

CKVXERYIPUNIMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.006

Distribution Coefficient, logD

4.006

Water Solubility, LogSw

-4.44

Polar Surface Area

41.069

Acid Dissociation Constant (pKa)

27.93

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8013-3800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3800?
Check Price and Availability of 8013-3800, 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 8013-3800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3800
  • 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 8013-3800 available by request