3820-5217 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-(4-propoxybenzoyl)thiourea

3820-5217 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-(4-propoxybenzoyl)thiourea
3820-5217 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-(4-propoxybenzoyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3820-5217
3-(1,3-benzothiazol-2-yl)-1-(4-propoxybenzoyl)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

3820-5217

Molecular Formula

C18H17N3O2S2 (C18 H17 N3 O2 S2)

Compound Name

3-(1,3-benzothiazol-2-yl)-1-(4-propoxybenzoyl)thiourea

IUPAC name

3-(13-benzothiazol-2-yl)-1-(4-propoxybenzoyl)thiourea

SMILES

CCCOc(cc1)ccc1C(NC(Nc1nc(cccc2)c2s1)=S)=O

InChI

InChI=1S/C18H17N3O2S2/c1-2-11-23-13-9-7-12(8-10-13)16(22)20-17(24)21-18-19-14-5-3-4-6-15(14)25-18/h3-10H,2,11H2,1H3,(H2,19,20,21,22,24)

InChI Key

LHQHBNJJCLSSSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02631407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.224

Distribution Coefficient, logD

5.223

Water Solubility, LogSw

-5.05

Polar Surface Area

50.419

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3820-5217 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3820-5217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3820-5217?
Check Price and Availability of 3820-5217, 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 3820-5217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3820-5217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3820-5217
  • 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 3820-5217 available by request