4909-0078 Screening compound: 1-(5-{7-chloro-2H,3H-[1,4]dioxino[2,3-g]quinolin-8-yl}-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one

4909-0078 Screening compound: 1-(5-{7-chloro-2H,3H-[1,4]dioxino[2,3-g]quinolin-8-yl}-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
4909-0078 Screening compound: 1-(5-{7-chloro-2H,3H-[1,4]dioxino[2,3-g]quinolin-8-yl}-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4909-0078
1-(5-{7-chloro-2H,3H-[1,4]dioxino[2,3-g]quinolin-8-yl}-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-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

4909-0078

Molecular Formula

C22H18ClN3O3 (C22 H18 ClN3 O3)

Compound Name

1-(5-{7-chloro-2H,3H-[1,4]dioxino[2,3-g]quinolin-8-yl}-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one

IUPAC name

1-(5-{7-chloro-2H3H-[14]dioxino[23-g]quinolin-8-yl}-3-phenyl-45-dihydro-1H-pyrazol-1-yl)ethan-1-one

SMILES

CC(N(C(C1)c(c(Cl)nc2c3)cc2cc2c3OCCO2)N=C1c1ccccc1)=O

InChI

InChI=1S/C22H18ClN3O3/c1-13(27)26-19(11-18(25-26)14-5-3-2-4-6-14)16-9-15-10-20-21(29-8-7-28-20)12-17(15)24-22(16)23/h2-6,9-10,12,19H,7-8,11H2,1H3/t19-/m0/s1

InChI Key

GZTNGVGXCWNSEG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03295571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

3.347

Water Solubility, LogSw

-3.73

Polar Surface Area

52.645

Acid Dissociation Constant (pKa)

15.61

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

4909-0078 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4909-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4909-0078?
Check Price and Availability of 4909-0078, 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 4909-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4909-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4909-0078
  • 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 4909-0078 available by request