C087-1074 Screening compound: 3-(3-chloro-4-methoxyphenyl)-1-[3-(piperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea

C087-1074 Screening compound: 3-(3-chloro-4-methoxyphenyl)-1-[3-(piperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea
C087-1074 Screening compound: 3-(3-chloro-4-methoxyphenyl)-1-[3-(piperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-1074
3-(3-chloro-4-methoxyphenyl)-1-[3-(piperidin-1-yl)propyl]-1-[(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

C087-1074

Molecular Formula

C21H28ClN3OS2 (C21 H28 ClN3 OS2)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(NC(N(CCCN1CCCCC1)Cc1cccs1)=S)c1)c1Cl

InChI

InChI=1S/C21H28ClN3OS2/c1-26-20-9-8-17(15-19(20)22)23-21(27)25(16-18-7-5-14-28-18)13-6-12-24-10-3-2-4-11-24/h5,7-9,14-15H,2-4,6,10-13,16H2,1H3,(H,23,27)

InChI Key

YZLYYFHOKXDZBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.06

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

5.174

Distribution Coefficient, logD

3.112

Water Solubility, LogSw

-5.70

Polar Surface Area

23.038

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C087-1074 in Drug Discovery

Included in Screening Libraries

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 C087-1074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-1074?
Check Price and Availability of C087-1074, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C087-1074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-1074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-1074
  • 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 C087-1074 available by request