C087-0914 Screening compound: 1-benzyl-3-(2-ethylphenyl)-1-[(pyridin-2-yl)methyl]thiourea

C087-0914 Screening compound: 1-benzyl-3-(2-ethylphenyl)-1-[(pyridin-2-yl)methyl]thiourea
C087-0914 Screening compound: 1-benzyl-3-(2-ethylphenyl)-1-[(pyridin-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0914
1-benzyl-3-(2-ethylphenyl)-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

C087-0914

Molecular Formula

C22H23N3S (C22 H23 N3 S)

Compound Name

1-benzyl-3-(2-ethylphenyl)-1-[(pyridin-2-yl)methyl]thiourea

IUPAC name

1-benzyl-3-(2-ethylphenyl)-1-[(pyridin-2-yl)methyl]thiourea

SMILES

CCc(cccc1)c1NC(N(Cc1ccccc1)Cc1ncccc1)=S

InChI

InChI=1S/C22H23N3S/c1-2-19-12-6-7-14-21(19)24-22(26)25(16-18-10-4-3-5-11-18)17-20-13-8-9-15-23-20/h3-15H,2,16-17H2,1H3,(H,24,26)

InChI Key

KIQVLYLUQVRWKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03350742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.924

Distribution Coefficient, logD

4.924

Water Solubility, LogSw

-4.51

Polar Surface Area

19.273

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C087-0914 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C087-0914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0914?
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What is the minimum amount of C087-0914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0914
  • 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 C087-0914 available by request