C087-1241 Screening compound: 3-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea

C087-1241 Screening compound: 3-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea
C087-1241 Screening compound: 3-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-1241
3-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylpiperidin-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

C087-1241

Molecular Formula

C23H32ClN3OS2 (C23 H32 ClN3 OS2)

Compound Name

3-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea

IUPAC name

3-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea

SMILES

CC1CN(CCCN(Cc2cccs2)C(Nc(c(OC)c2)cc(C)c2Cl)=S)CCC1

InChI

InChI=1S/C23H32ClN3OS2/c1-17-7-4-9-26(15-17)10-6-11-27(16-19-8-5-12-30-19)23(29)25-21-13-18(2)20(24)14-22(21)28-3/h5,8,12-14,17H,4,6-7,9-11,15-16H2,1-3H3,(H,25,29)/t17-/m0/s1

InChI Key

SKYWJDGBNLQASA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14718392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.11

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

6.245

Distribution Coefficient, logD

4.207

Water Solubility, LogSw

-6.20

Polar Surface Area

22.273

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

9.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

References: we are preparing a list of scientific research reports with C087-1241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-1241?
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What is the minimum amount of C087-1241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-1241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-1241
  • 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 C087-1241 available by request