C095-0344 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide

C095-0344 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
C095-0344 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0344
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-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

C095-0344

Molecular Formula

C22H26BrN7O3 (C22 H26 BrN7 O3)

Compound Name

2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide

IUPAC name

2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide

SMILES

CCN(CC1)CCN1c1cc(C)c(cc(cc2)NC(Cn(c(C)c3Br)nc3[N+]([O-])=O)=O)c2n1

InChI

InChI=1S/C22H26BrN7O3/c1-4-27-7-9-28(10-8-27)19-11-14(2)17-12-16(5-6-18(17)25-19)24-20(31)13-29-15(3)21(23)22(26-29)30(32)33/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,24,31)

InChI Key

QKHVZQIRJQHXFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.839

Distribution Coefficient, logD

3.151

Water Solubility, LogSw

-3.93

Polar Surface Area

85.191

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C095-0344 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C095-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0344?
Check Price and Availability of C095-0344, 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 C095-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0344
  • 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 C095-0344 available by request