2802-0117 Screening compound: 6-bromo-3-[1-(4-methoxybenzenesulfonyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one

2802-0117 Screening compound: 6-bromo-3-[1-(4-methoxybenzenesulfonyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one
2802-0117 Screening compound: 6-bromo-3-[1-(4-methoxybenzenesulfonyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2802-0117
6-bromo-3-[1-(4-methoxybenzenesulfonyl)-5-phenyl-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

2802-0117

Molecular Formula

C31H24BrN3O4S (C31 H24 BrN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1S(N(C(C1)c2ccccc2)N=C1C1=C(c2ccccc2)c(cc(cc2)Br)c2NC1=O)(=O)=O

InChI

InChI=1S/C31H24BrN3O4S/c1-39-23-13-15-24(16-14-23)40(37,38)35-28(20-8-4-2-5-9-20)19-27(34-35)30-29(21-10-6-3-7-11-21)25-18-22(32)12-17-26(25)33-31(30)36/h2-18,28H,19H2,1H3,(H,33,36)/t28-/m1/s1

InChI Key

YKTJPAMVOUUUEQ-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD00656030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

614.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.857

Distribution Coefficient, logD

6.773

Water Solubility, LogSw

-5.72

Polar Surface Area

74.502

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.70

2802-0117 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 2802-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2802-0117?
Check Price and Availability of 2802-0117, 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 2802-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2802-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2802-0117
  • 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 2802-0117 available by request