C066-2212 Screening compound: 1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea

C066-2212 Screening compound: 1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea
C066-2212 Screening compound: 1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2212
1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]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

C066-2212

Molecular Formula

C23H33N5S (C23 H33 N5 S)

Compound Name

1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea

IUPAC name

1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea

SMILES

CCN(CC1)CCN1c1cc(C)c(cc(cc2)NC(NC3CCCCC3)=S)c2n1

InChI

InChI=1S/C23H33N5S/c1-3-27-11-13-28(14-12-27)22-15-17(2)20-16-19(9-10-21(20)26-22)25-23(29)24-18-7-5-4-6-8-18/h9-10,15-16,18H,3-8,11-14H2,1-2H3,(H2,24,25,29)

InChI Key

WNMRQWRQLFQTSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.61

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

5.419

Distribution Coefficient, logD

4.731

Water Solubility, LogSw

-5.50

Polar Surface Area

34.892

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

C066-2212 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 C066-2212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2212?
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What is the minimum amount of C066-2212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2212
  • 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 C066-2212 available by request