Y010-1687 Screening compound: N-(1,3-benzothiazol-2-yl)-N',N''-dipropionylguanidine

Y010-1687 Screening compound: N-(1,3-benzothiazol-2-yl)-N',N''-dipropionylguanidine
Y010-1687 Screening compound: N-(1,3-benzothiazol-2-yl)-N',N''-dipropionylguanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1687
N-(1,3-benzothiazol-2-yl)-N',N''-dipropionylguanidine

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

Y010-1687

Molecular Formula

C14H16N4O2S (C14 H16 N4 O2 S)

Compound Name

N-(1,3-benzothiazol-2-yl)-N',N''-dipropionylguanidine

IUPAC name

N-[(Z)-[(13-benzothiazol-2-yl)amino](propanamido)methylidene]propanamide

SMILES

CCC(N/C(/Nc1nc(cccc2)c2s1)=N/C(CC)=O)=O

InChI

InChI=1S/C14H16N4O2S/c1-3-11(19)16-13(17-12(20)4-2)18-14-15-9-7-5-6-8-10(9)21-14/h5-8H,3-4H2,1-2H3,(H2,15,16,17,18,19,20)

InChI Key

WQUITCPFPXMADZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01171440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.505

Distribution Coefficient, logD

2.129

Water Solubility, LogSw

-2.78

Polar Surface Area

64.586

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

Y010-1687 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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

References: we are preparing a list of scientific research reports with Y010-1687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1687?
Check Price and Availability of Y010-1687, 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 Y010-1687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1687
  • 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 Y010-1687 available by request