C267-0449 Screening compound: 1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[(1-phenylcyclopentyl)methyl]thiourea

C267-0449 Screening compound: 1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[(1-phenylcyclopentyl)methyl]thiourea
C267-0449 Screening compound: 1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[(1-phenylcyclopentyl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C267-0449
1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[(1-phenylcyclopentyl)methyl]thiourea

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

C267-0449

Molecular Formula

C28H35N5S (C28 H35 N5 S)

Compound Name

1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[(1-phenylcyclopentyl)methyl]thiourea

IUPAC name

1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[(1-phenylcyclopentyl)methyl]thiourea

SMILES

Cc1c(cc(cc2)NC(NCC3(CCCC3)c3ccccc3)=S)c2nc(N2CCN(C)CC2)c1

InChI

InChI=1S/C28H35N5S/c1-21-18-26(33-16-14-32(2)15-17-33)31-25-11-10-23(19-24(21)25)30-27(34)29-20-28(12-6-7-13-28)22-8-4-3-5-9-22/h3-5,8-11,18-19H,6-7,12-17,20H2,1-2H3,(H2,29,30,34)

InChI Key

RISMAZBZIKNWOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.968

Distribution Coefficient, logD

5.398

Water Solubility, LogSw

-5.63

Polar Surface Area

35.393

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C267-0449 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 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 C267-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C267-0449?
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What is the minimum amount of C267-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C267-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C267-0449
  • 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 C267-0449 available by request