C095-0454 Screening compound: 3-(4-methoxyphenyl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}propanamide

C095-0454 Screening compound: 3-(4-methoxyphenyl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}propanamide
C095-0454 Screening compound: 3-(4-methoxyphenyl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0454
3-(4-methoxyphenyl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}propanamide

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

C095-0454

Molecular Formula

C28H30N6O2 (C28 H30 N6 O2)

Compound Name

3-(4-methoxyphenyl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}propanamide

IUPAC name

3-(4-methoxyphenyl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}propanamide

SMILES

Cc1c(cc(cc2)NC(CCc(cc3)ccc3OC)=O)c2nc(N(CC2)CCN2c2ncccn2)c1

InChI

InChI=1S/C28H30N6O2/c1-20-18-26(33-14-16-34(17-15-33)28-29-12-3-13-30-28)32-25-10-7-22(19-24(20)25)31-27(35)11-6-21-4-8-23(36-2)9-5-21/h3-5,7-10,12-13,18-19H,6,11,14-17H2,1-2H3,(H,31,35)

InChI Key

RYHWJKRNBMHFIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.648

Distribution Coefficient, logD

5.647

Water Solubility, LogSw

-5.57

Polar Surface Area

63.529

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C095-0454 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C095-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0454?
Check Price and Availability of C095-0454, 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 C095-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0454
  • 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 C095-0454 available by request