C087-0347 Screening compound: 1-(4-chloro-3-methylphenyl)-3-cyclopentyl-3-[(thiophen-2-yl)methyl]thiourea

C087-0347 Screening compound: 1-(4-chloro-3-methylphenyl)-3-cyclopentyl-3-[(thiophen-2-yl)methyl]thiourea
C087-0347 Screening compound: 1-(4-chloro-3-methylphenyl)-3-cyclopentyl-3-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0347
1-(4-chloro-3-methylphenyl)-3-cyclopentyl-3-[(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

C087-0347

Molecular Formula

C18H21ClN2S2 (C18 H21 ClN2 S2)

Compound Name

1-(4-chloro-3-methylphenyl)-3-cyclopentyl-3-[(thiophen-2-yl)methyl]thiourea

IUPAC name

1-(4-chloro-3-methylphenyl)-3-cyclopentyl-3-[(thiophen-2-yl)methyl]thiourea

SMILES

Cc(cc(cc1)NC(N(Cc2cccs2)C2CCCC2)=S)c1Cl

InChI

InChI=1S/C18H21ClN2S2/c1-13-11-14(8-9-17(13)19)20-18(22)21(15-5-2-3-6-15)12-16-7-4-10-23-16/h4,7-11,15H,2-3,5-6,12H2,1H3,(H,20,22)

InChI Key

ULMRHMHYTSWNIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.96

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.154

Distribution Coefficient, logD

6.154

Water Solubility, LogSw

-6.27

Polar Surface Area

11.057

Acid Dissociation Constant (pKa)

13.98

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with C087-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0347?
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What is the minimum amount of C087-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0347
  • 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 C087-0347 available by request