C095-0414 Screening compound: 3-methoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide

C095-0414 Screening compound: 3-methoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide
C095-0414 Screening compound: 3-methoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0414
3-methoxy-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

C095-0414

Molecular Formula

C26H26N6O2 (C26 H26 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(cc(cc2)NC(c3cc(OC)ccc3)=O)c2nc(N(CC2)CCN2c2ncccn2)c1

InChI

InChI=1S/C26H26N6O2/c1-18-15-24(31-11-13-32(14-12-31)26-27-9-4-10-28-26)30-23-8-7-20(17-22(18)23)29-25(33)19-5-3-6-21(16-19)34-2/h3-10,15-17H,11-14H2,1-2H3,(H,29,33)

InChI Key

OTWXMWAELXYBDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.351

Distribution Coefficient, logD

5.351

Water Solubility, LogSw

-5.54

Polar Surface Area

63.743

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C095-0414 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C095-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0414?
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What is the minimum amount of C095-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0414
  • 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 C095-0414 available by request