C270-0219 Screening compound: 3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-1-(4-ethoxyphenyl)thiourea

C270-0219 Screening compound: 3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-1-(4-ethoxyphenyl)thiourea
C270-0219 Screening compound: 3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-1-(4-ethoxyphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C270-0219
3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-1-(4-ethoxyphenyl)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

C270-0219

Molecular Formula

C22H29ClN4OS (C22 H29 ClN4 OS)

Compound Name

3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-1-(4-ethoxyphenyl)thiourea

IUPAC name

3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-1-(4-ethoxyphenyl)thiourea

SMILES

CCOc(cc1)ccc1NC(NCCN(CC1)CCN1c1c(C)ccc(Cl)c1)=S

InChI

InChI=1S/C22H29ClN4OS/c1-3-28-20-8-6-19(7-9-20)25-22(29)24-10-11-26-12-14-27(15-13-26)21-16-18(23)5-4-17(21)2/h4-9,16H,3,10-15H2,1-2H3,(H2,24,25,29)

InChI Key

KSORSMODIFDEBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.02

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.790

Distribution Coefficient, logD

3.030

Water Solubility, LogSw

-4.65

Polar Surface Area

34.290

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C270-0219 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 C270-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C270-0219?
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What is the minimum amount of C270-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C270-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C270-0219
  • 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 C270-0219 available by request