3805-1093 Screening compound: 1-(3-chlorophenyl)-3-[(thiophen-2-yl)methyl]thiourea

3805-1093 Screening compound: 1-(3-chlorophenyl)-3-[(thiophen-2-yl)methyl]thiourea
3805-1093 Screening compound: 1-(3-chlorophenyl)-3-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3805-1093
1-(3-chlorophenyl)-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

3805-1093

Molecular Formula

C12H11ClN2S2 (C12 H11 ClN2 S2)

Compound Name

1-(3-chlorophenyl)-3-[(thiophen-2-yl)methyl]thiourea

IUPAC name

1-(3-chlorophenyl)-3-[(thiophen-2-yl)methyl]thiourea

SMILES

S=C(NCc1cccs1)Nc1cccc(Cl)c1

InChI

InChI=1S/C12H11ClN2S2/c13-9-3-1-4-10(7-9)15-12(16)14-8-11-5-2-6-17-11/h1-7H,8H2,(H2,14,15,16)

InChI Key

HUQUGVIUYLNXEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02052107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.82

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.884

Distribution Coefficient, logD

3.884

Water Solubility, LogSw

-4.20

Polar Surface Area

21.401

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

3805-1093 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3805-1093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3805-1093?
Check Price and Availability of 3805-1093, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3805-1093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3805-1093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3805-1093
  • 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 3805-1093 available by request