4909-0050 Screening compound: 1-[5-(2-chloro-6-methoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]propan-1-one

4909-0050 Screening compound: 1-[5-(2-chloro-6-methoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]propan-1-one
4909-0050 Screening compound: 1-[5-(2-chloro-6-methoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4909-0050
1-[5-(2-chloro-6-methoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]propan-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

4909-0050

Molecular Formula

C24H24ClN3O4 (C24 H24 ClN3 O4)

Compound Name

1-[5-(2-chloro-6-methoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]propan-1-one

IUPAC name

1-[5-(2-chloro-6-methoxyquinolin-3-yl)-3-(34-dimethoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]propan-1-one

SMILES

CCC(N(C(C1)c2cc3cc(OC)ccc3nc2Cl)N=C1c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C24H24ClN3O4/c1-5-23(29)28-20(13-19(27-28)14-6-9-21(31-3)22(12-14)32-4)17-11-15-10-16(30-2)7-8-18(15)26-24(17)25/h6-12,20H,5,13H2,1-4H3/t20-/m0/s1

InChI Key

BABVTRUHLOKXDZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03292979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.771

Distribution Coefficient, logD

4.771

Water Solubility, LogSw

-4.91

Polar Surface Area

58.631

Acid Dissociation Constant (pKa)

16.19

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

4909-0050 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4909-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4909-0050?
Check Price and Availability of 4909-0050, 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 4909-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4909-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4909-0050
  • 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 4909-0050 available by request