5910-0216 Screening compound: N'-{6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-oxo-1,4-dihydropyrimidin-2-yl}-N-phenylguanidine

5910-0216 Screening compound: N'-{6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-oxo-1,4-dihydropyrimidin-2-yl}-N-phenylguanidine
5910-0216 Screening compound: N'-{6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-oxo-1,4-dihydropyrimidin-2-yl}-N-phenylguanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5910-0216
N'-{6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-oxo-1,4-dihydropyrimidin-2-yl}-N-phenylguanidine

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

5910-0216

Molecular Formula

C19H16N6OS2 (C19 H16 N6 OS2)

Compound Name

N'-{6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-oxo-1,4-dihydropyrimidin-2-yl}-N-phenylguanidine

IUPAC name

N'-{6-[(13-benzothiazol-2-ylsulfanyl)methyl]-4-oxo-14-dihydropyrimidin-2-yl}-N-phenylguanidine

SMILES

N=C(Nc1ccccc1)NC(NC(CSc1nc(cccc2)c2s1)=C1)=NC1=O

InChI

InChI=1S/C19H16N6OS2/c20-17(21-12-6-2-1-3-7-12)25-18-22-13(10-16(26)24-18)11-27-19-23-14-8-4-5-9-15(14)28-19/h1-10H,11H2,(H4,20,21,22,24,25,26)

InChI Key

ZSZFVJHRWWKQFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03615518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.939

Distribution Coefficient, logD

2.597

Water Solubility, LogSw

-4.17

Polar Surface Area

81.468

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

5910-0216 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5910-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5910-0216?
Check Price and Availability of 5910-0216, 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 5910-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5910-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5910-0216
  • 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 5910-0216 available by request