C095-0421 Screening compound: 2,4-dimethoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide

C095-0421 Screening compound: 2,4-dimethoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide
C095-0421 Screening compound: 2,4-dimethoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0421
2,4-dimethoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide

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

C095-0421

Molecular Formula

C27H28N6O3 (C27 H28 N6 O3)

Compound Name

2,4-dimethoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide

IUPAC name

24-dimethoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide

SMILES

Cc1c(cc(cc2)NC(c(ccc(OC)c3)c3OC)=O)c2nc(N(CC2)CCN2c2ncccn2)c1

InChI

InChI=1S/C27H28N6O3/c1-18-15-25(32-11-13-33(14-12-32)27-28-9-4-10-29-27)31-23-8-5-19(16-22(18)23)30-26(34)21-7-6-20(35-2)17-24(21)36-3/h4-10,15-17H,11-14H2,1-3H3,(H,30,34)

InChI Key

HUVIXJXHZYBACZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.314

Distribution Coefficient, logD

5.299

Water Solubility, LogSw

-5.52

Polar Surface Area

71.373

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C095-0421 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Lipid Metabolism Library (9174 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C095-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0421?
Check Price and Availability of C095-0421, 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 C095-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0421
  • 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 C095-0421 available by request