C138-2023 Screening compound: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide

C138-2023 Screening compound: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide
C138-2023 Screening compound: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-2023
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide

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

C138-2023

Molecular Formula

C22H24BrF3N6O (C22 H24 BrF3 N6 O)

Compound Name

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide

IUPAC name

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide

SMILES

Cc(n(CC(Nc1cc2c(C)cc(N3CCN(C)CC3)nc2cc1)=O)nc1C(F)(F)F)c1Br

InChI

InChI=1S/C22H24BrF3N6O/c1-13-10-18(31-8-6-30(3)7-9-31)28-17-5-4-15(11-16(13)17)27-19(33)12-32-14(2)20(23)21(29-32)22(24,25)26/h4-5,10-11H,6-9,12H2,1-3H3,(H,27,33)

InChI Key

NHVZMLYOSYLNSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.351

Distribution Coefficient, logD

3.782

Water Solubility, LogSw

-4.27

Polar Surface Area

52.586

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C138-2023 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C138-2023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-2023?
Check Price and Availability of C138-2023, 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 C138-2023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-2023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-2023
  • 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 C138-2023 available by request