C087-1072 Screening compound: 1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

C087-1072 Screening compound: 1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea
C087-1072 Screening compound: 1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-1072
1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]-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

C087-1072

Molecular Formula

C22H30ClN3OS2 (C22 H30 ClN3 OS2)

Compound Name

1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

IUPAC name

1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

SMILES

CC1CCN(CCCN(Cc2cccs2)C(Nc(cc2)cc(Cl)c2OC)=S)CC1

InChI

InChI=1S/C22H30ClN3OS2/c1-17-8-12-25(13-9-17)10-4-11-26(16-19-5-3-14-29-19)22(28)24-18-6-7-21(27-2)20(23)15-18/h3,5-7,14-15,17H,4,8-13,16H2,1-2H3,(H,24,28)

InChI Key

RWYJVSJPESENBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.08

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.564

Distribution Coefficient, logD

3.637

Water Solubility, LogSw

-5.97

Polar Surface Area

23.038

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

9.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C087-1072 in Drug Discovery

Included in Screening Libraries

Human Phosphatases Annotated Library (206 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C087-1072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-1072?
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What is the minimum amount of C087-1072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-1072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-1072
  • 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 C087-1072 available by request