C087-0819 Screening compound: 3-(2-methoxyphenyl)-1-[3-(piperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea

C087-0819 Screening compound: 3-(2-methoxyphenyl)-1-[3-(piperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea
C087-0819 Screening compound: 3-(2-methoxyphenyl)-1-[3-(piperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0819
3-(2-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

C087-0819

Molecular Formula

C21H29N3OS2 (C21 H29 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1NC(N(CCCN1CCCCC1)Cc1cccs1)=S

InChI

InChI=1S/C21H29N3OS2/c1-25-20-11-4-3-10-19(20)22-21(26)24(17-18-9-7-16-27-18)15-8-14-23-12-5-2-6-13-23/h3-4,7,9-11,16H,2,5-6,8,12-15,17H2,1H3,(H,22,26)

InChI Key

GOPGGRDAPBSZEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.61

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

4.760

Distribution Coefficient, logD

2.698

Water Solubility, LogSw

-4.37

Polar Surface Area

22.340

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with C087-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0819?
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What is the minimum amount of C087-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0819
  • 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 C087-0819 available by request