1945-0043 Screening compound: 3-[1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-chloro-4-phenyl-1,2-dihydroquinolin-2-one

1945-0043 Screening compound: 3-[1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-chloro-4-phenyl-1,2-dihydroquinolin-2-one
1945-0043 Screening compound: 3-[1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-chloro-4-phenyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1945-0043
3-[1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-chloro-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

1945-0043

Molecular Formula

C26H19BrClN3O2 (C26 H19 BrClN3 O2)

Compound Name

3-[1-acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-chloro-4-phenyl-1,2-dihydroquinolin-2-one

IUPAC name

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

SMILES

CC(N(C(C1)c(cc2)ccc2Br)N=C1C1=C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O)=O

InChI

InChI=1S/C26H19BrClN3O2/c1-15(32)31-23(16-7-9-18(27)10-8-16)14-22(30-31)25-24(17-5-3-2-4-6-17)20-13-19(28)11-12-21(20)29-26(25)33/h2-13,23H,14H2,1H3,(H,29,33)/t23-/m0/s1

InChI Key

DBWSFEIPLCWNNC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01365542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.152

Distribution Coefficient, logD

6.115

Water Solubility, LogSw

-6.13

Polar Surface Area

52.460

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

1945-0043 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1945-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1945-0043?
Check Price and Availability of 1945-0043, 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 1945-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1945-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1945-0043
  • 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 1945-0043 available by request