C087-0360 Screening compound: 1-(4-phenoxyphenyl)-3-[3-(piperidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

C087-0360 Screening compound: 1-(4-phenoxyphenyl)-3-[3-(piperidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea
C087-0360 Screening compound: 1-(4-phenoxyphenyl)-3-[3-(piperidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0360
1-(4-phenoxyphenyl)-3-[3-(piperidin-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

C087-0360

Molecular Formula

C26H31N3OS2 (C26 H31 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

S=C(Nc(cc1)ccc1Oc1ccccc1)N(CCCN1CCCCC1)Cc1cccs1

InChI

InChI=1S/C26H31N3OS2/c31-26(27-22-12-14-24(15-13-22)30-23-9-3-1-4-10-23)29(21-25-11-7-20-32-25)19-8-18-28-16-5-2-6-17-28/h1,3-4,7,9-15,20H,2,5-6,8,16-19,21H2,(H,27,31)

InChI Key

RTXCYRVAGYRSFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.353

Distribution Coefficient, logD

4.291

Water Solubility, LogSw

-5.92

Polar Surface Area

22.155

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C087-0360 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C087-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0360?
Check Price and Availability of C087-0360, 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 C087-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0360
  • 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 C087-0360 available by request