4909-0064 Screening compound: 3-[1-benzoyl-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-6-methoxyquinoline

4909-0064 Screening compound: 3-[1-benzoyl-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-6-methoxyquinoline
4909-0064 Screening compound: 3-[1-benzoyl-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-6-methoxyquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4909-0064
3-[1-benzoyl-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-6-methoxyquinoline

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

4909-0064

Molecular Formula

C28H24ClN3O4 (C28 H24 ClN3 O4)

Compound Name

3-[1-benzoyl-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-6-methoxyquinoline

IUPAC name

3-[1-benzoyl-3-(34-dimethoxyphenyl)-45-dihydro-1H-pyrazol-5-yl]-2-chloro-6-methoxyquinoline

SMILES

COc(cc1cc2C(C3)N(C(c4ccccc4)=O)N=C3c(cc3)cc(OC)c3OC)ccc1nc2Cl

InChI

InChI=1S/C28H24ClN3O4/c1-34-20-10-11-22-19(13-20)14-21(27(29)30-22)24-16-23(18-9-12-25(35-2)26(15-18)36-3)31-32(24)28(33)17-7-5-4-6-8-17/h4-15,24H,16H2,1-3H3/t24-/m0/s1

InChI Key

RSLYADCLBYKCNH-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03293637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.97

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

5.629

Distribution Coefficient, logD

5.629

Water Solubility, LogSw

-6.05

Polar Surface Area

58.887

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

4909-0064 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 4909-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4909-0064?
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What is the minimum amount of 4909-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4909-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4909-0064
  • 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 4909-0064 available by request