2280-6406 Screening compound: 6-bromo-3-{1-[3-(morpholin-4-yl)propanoyl]-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-4-phenyl-1,2-dihydroquinolin-2-one

2280-6406 Screening compound: 6-bromo-3-{1-[3-(morpholin-4-yl)propanoyl]-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-4-phenyl-1,2-dihydroquinolin-2-one
2280-6406 Screening compound: 6-bromo-3-{1-[3-(morpholin-4-yl)propanoyl]-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 2280-6406
6-bromo-3-{1-[3-(morpholin-4-yl)propanoyl]-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

2280-6406

Molecular Formula

C31H28BrN5O5 (C31 H28 BrN5 O5)

Compound Name

6-bromo-3-{1-[3-(morpholin-4-yl)propanoyl]-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-4-phenyl-1,2-dihydroquinolin-2-one

IUPAC name

6-bromo-3-{1-[3-(morpholin-4-yl)propanoyl]-5-(3-nitrophenyl)-45-dihydro-1H-pyrazol-3-yl}-4-phenyl-12-dihydroquinolin-2-one

SMILES

[O-][N+](c1cccc(C(C2)N(C(CCN3CCOCC3)=O)N=C2C2=C(c3ccccc3)c(cc(cc3)Br)c3NC2=O)c1)=O

InChI

InChI=1S/C31H28BrN5O5/c32-22-9-10-25-24(18-22)29(20-5-2-1-3-6-20)30(31(39)33-25)26-19-27(21-7-4-8-23(17-21)37(40)41)36(34-26)28(38)11-12-35-13-15-42-16-14-35/h1-10,17-18,27H,11-16,19H2,(H,33,39)/t27-/m1/s1

InChI Key

VPIIBIWCWXZQGZ-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD01004682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

630.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.982

Distribution Coefficient, logD

4.648

Water Solubility, LogSw

-4.76

Polar Surface Area

96.466

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

2280-6406 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 2280-6406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2280-6406?
Check Price and Availability of 2280-6406, 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 2280-6406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2280-6406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2280-6406
  • 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 2280-6406 available by request