5959-0235 Screening compound: 4-(5-{6-chloro-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl}-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid

5959-0235 Screening compound: 4-(5-{6-chloro-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl}-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
5959-0235 Screening compound: 4-(5-{6-chloro-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl}-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5959-0235
4-(5-{6-chloro-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl}-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid

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

5959-0235

Molecular Formula

C24H20ClN3O5 (C24 H20 ClN3 O5)

Compound Name

4-(5-{6-chloro-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl}-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid

IUPAC name

4-(5-{6-chloro-2H-[13]dioxolo[45-g]quinolin-7-yl}-3-(4-methylphenyl)-45-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid

SMILES

Cc(cc1)ccc1C(CC1c(c(Cl)nc2c3)cc2cc2c3OCO2)=NN1C(CCC(O)=O)=O

InChI

InChI=1S/C24H20ClN3O5/c1-13-2-4-14(5-3-13)18-10-19(28(27-18)22(29)6-7-23(30)31)16-8-15-9-20-21(33-12-32-20)11-17(15)26-24(16)25/h2-5,8-9,11,19H,6-7,10,12H2,1H3,(H,30,31)/t19-/m0/s1

InChI Key

LIXTVBDZZPQGMI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03689756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.349

Distribution Coefficient, logD

1.399

Water Solubility, LogSw

-4.38

Polar Surface Area

81.326

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

5959-0235 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 5959-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5959-0235?
Check Price and Availability of 5959-0235, 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 5959-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5959-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5959-0235
  • 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 5959-0235 available by request