0663-0120 Screening compound: 6-bromo-3-[1-(5-nitrofuran-2-carbonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one

0663-0120 Screening compound: 6-bromo-3-[1-(5-nitrofuran-2-carbonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one
0663-0120 Screening compound: 6-bromo-3-[1-(5-nitrofuran-2-carbonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0663-0120
6-bromo-3-[1-(5-nitrofuran-2-carbonyl)-5-(3-nitrophenyl)-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

0663-0120

Molecular Formula

C29H18BrN5O7 (C29 H18 BrN5 O7)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1ccc(C(N(C(C2)c3cc([N+]([O-])=O)ccc3)N=C2C2=C(c3ccccc3)c(cc(cc3)Br)c3NC2=O)=O)o1)=O

InChI

InChI=1S/C29H18BrN5O7/c30-18-9-10-21-20(14-18)26(16-5-2-1-3-6-16)27(28(36)31-21)22-15-23(17-7-4-8-19(13-17)34(38)39)33(32-22)29(37)24-11-12-25(42-24)35(40)41/h1-14,23H,15H2,(H,31,36)/t23-/m1/s1

InChI Key

WAVDZFKKZDEWGG-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD00311036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

628.4

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

6.021

Distribution Coefficient, logD

5.984

Water Solubility, LogSw

-6.01

Polar Surface Area

127.763

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.90

0663-0120 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0663-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0663-0120?
Check Price and Availability of 0663-0120, 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 0663-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0663-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0663-0120
  • 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 0663-0120 available by request