2297-0133 Screening compound: 4-[3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

2297-0133 Screening compound: 4-[3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
2297-0133 Screening compound: 4-[3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2297-0133
4-[3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

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

2297-0133

Molecular Formula

C29H23Br2N3O3 (C29 H23 Br2 N3 O3)

Compound Name

4-[3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

IUPAC name

4-[3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(4-bromophenyl)-45-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

SMILES

Cc1c(C(CC2c(cc3)ccc3Br)=NN2C(CCC(O)=O)=O)c(-c2ccccc2)c(cc(cc2)Br)c2n1

InChI

InChI=1S/C29H23Br2N3O3/c1-17-28(29(19-5-3-2-4-6-19)22-15-21(31)11-12-23(22)32-17)24-16-25(18-7-9-20(30)10-8-18)34(33-24)26(35)13-14-27(36)37/h2-12,15,25H,13-14,16H2,1H3,(H,36,37)/t25-/m1/s1

InChI Key

IVJYDAXJUQOLOK-RUZDIDTESA-N

MDL Number (MFCD)

MFCD01051667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

621.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.787

Distribution Coefficient, logD

3.838

Water Solubility, LogSw

-5.74

Polar Surface Area

63.879

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

2297-0133 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 2297-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2297-0133?
Check Price and Availability of 2297-0133, 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 2297-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2297-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2297-0133
  • 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 2297-0133 available by request