C087-0190 Screening compound: 1-benzyl-3-(5-chloro-2-methylphenyl)-1-[(thiophen-2-yl)methyl]thiourea

C087-0190 Screening compound: 1-benzyl-3-(5-chloro-2-methylphenyl)-1-[(thiophen-2-yl)methyl]thiourea
C087-0190 Screening compound: 1-benzyl-3-(5-chloro-2-methylphenyl)-1-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0190
1-benzyl-3-(5-chloro-2-methylphenyl)-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

C087-0190

Molecular Formula

C20H19ClN2S2 (C20 H19 ClN2 S2)

Compound Name

1-benzyl-3-(5-chloro-2-methylphenyl)-1-[(thiophen-2-yl)methyl]thiourea

IUPAC name

1-benzyl-3-(5-chloro-2-methylphenyl)-1-[(thiophen-2-yl)methyl]thiourea

SMILES

Cc(ccc(Cl)c1)c1NC(N(Cc1cccs1)Cc1ccccc1)=S

InChI

InChI=1S/C20H19ClN2S2/c1-15-9-10-17(21)12-19(15)22-20(24)23(14-18-8-5-11-25-18)13-16-6-3-2-4-7-16/h2-12H,13-14H2,1H3,(H,22,24)

InChI Key

NNLBOSJNLXKWBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.97

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.859

Distribution Coefficient, logD

5.859

Water Solubility, LogSw

-6.05

Polar Surface Area

10.748

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with C087-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0190?
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What is the minimum amount of C087-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0190
  • 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 C087-0190 available by request