C267-0398 Screening compound: 1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[(thiophen-2-yl)methyl]thiourea

C267-0398 Screening compound: 1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[(thiophen-2-yl)methyl]thiourea
C267-0398 Screening compound: 1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C267-0398
1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[(thiophen-2-yl)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

C267-0398

Molecular Formula

C21H25N5S2 (C21 H25 N5 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(cc(cc2)NC(NCc3cccs3)=S)c2nc(N2CCN(C)CC2)c1

InChI

InChI=1S/C21H25N5S2/c1-15-12-20(26-9-7-25(2)8-10-26)24-19-6-5-16(13-18(15)19)23-21(27)22-14-17-4-3-11-28-17/h3-6,11-13H,7-10,14H2,1-2H3,(H2,22,23,27)

InChI Key

OOAYGBZBQZEBNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.417

Distribution Coefficient, logD

3.847

Water Solubility, LogSw

-4.24

Polar Surface Area

36.125

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C267-0398 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C267-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C267-0398?
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What is the minimum amount of C267-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C267-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C267-0398
  • 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 C267-0398 available by request