C270-0168 Screening compound: 3-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)thiourea

C270-0168 Screening compound: 3-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)thiourea
C270-0168 Screening compound: 3-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C270-0168
3-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)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

C270-0168

Molecular Formula

C21H34N4OS (C21 H34 N4 OS)

Compound Name

3-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)thiourea

IUPAC name

3-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)thiourea

SMILES

COc(cc1)ccc1NC(NCCCN(CC1)CCN1C1CCCCC1)=S

InChI

InChI=1S/C21H34N4OS/c1-26-20-10-8-18(9-11-20)23-21(27)22-12-5-13-24-14-16-25(17-15-24)19-6-3-2-4-7-19/h8-11,19H,2-7,12-17H2,1H3,(H2,22,23,27)

InChI Key

POTGMSWCZTUNLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.265

Distribution Coefficient, logD

2.355

Water Solubility, LogSw

-3.46

Polar Surface Area

34.844

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

C270-0168 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C270-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C270-0168?
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What is the minimum amount of C270-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C270-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C270-0168
  • 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 C270-0168 available by request