C087-0864 Screening compound: 3-(2-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-2-yl)methyl]thiourea

C087-0864 Screening compound: 3-(2-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-2-yl)methyl]thiourea
C087-0864 Screening compound: 3-(2-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0864
3-(2-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-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

C087-0864

Molecular Formula

C22H23N3OS (C22 H23 N3 OS)

Compound Name

3-(2-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-2-yl)methyl]thiourea

IUPAC name

3-(2-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-2-yl)methyl]thiourea

SMILES

Cc1ccc(CN(Cc2ncccc2)C(Nc(cccc2)c2OC)=S)cc1

InChI

InChI=1S/C22H23N3OS/c1-17-10-12-18(13-11-17)15-25(16-19-7-5-6-14-23-19)22(27)24-20-8-3-4-9-21(20)26-2/h3-14H,15-16H2,1-2H3,(H,24,27)

InChI Key

TULKCIBSKRYRTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.601

Distribution Coefficient, logD

4.601

Water Solubility, LogSw

-4.36

Polar Surface Area

26.904

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with C087-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0864?
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What is the minimum amount of C087-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0864
  • 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 C087-0864 available by request