2044-1268 Screening compound: 6-bromo-3-[5-(furan-2-yl)-1-(2-methylbenzoyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one

2044-1268 Screening compound: 6-bromo-3-[5-(furan-2-yl)-1-(2-methylbenzoyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one
2044-1268 Screening compound: 6-bromo-3-[5-(furan-2-yl)-1-(2-methylbenzoyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2044-1268
6-bromo-3-[5-(furan-2-yl)-1-(2-methylbenzoyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-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

2044-1268

Molecular Formula

C30H22BrN3O3 (C30 H22 BrN3 O3)

Compound Name

6-bromo-3-[5-(furan-2-yl)-1-(2-methylbenzoyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one

IUPAC name

6-bromo-3-[5-(furan-2-yl)-1-(2-methylbenzoyl)-45-dihydro-1H-pyrazol-3-yl]-4-phenyl-12-dihydroquinolin-2-one

SMILES

Cc(cccc1)c1C(N(C(C1)c2ccco2)N=C1C1=C(c2ccccc2)c(cc(cc2)Br)c2NC1=O)=O

InChI

InChI=1S/C30H22BrN3O3/c1-18-8-5-6-11-21(18)30(36)34-25(26-12-7-15-37-26)17-24(33-34)28-27(19-9-3-2-4-10-19)22-16-20(31)13-14-23(22)32-29(28)35/h2-16,25H,17H2,1H3,(H,32,35)/t25-/m1/s1

InChI Key

AWTYBKVMJCGYRF-RUZDIDTESA-N

MDL Number (MFCD)

MFCD00655997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.521

Distribution Coefficient, logD

6.483

Water Solubility, LogSw

-5.71

Polar Surface Area

60.299

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

2044-1268 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2044-1268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2044-1268?
Check Price and Availability of 2044-1268, 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 2044-1268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2044-1268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2044-1268
  • 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 2044-1268 available by request