2209-0050 Screening compound: 4,6-bis(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(furan-2-yl)ethyl]-1,3,5-triazin-2-amine

2209-0050 Screening compound: 4,6-bis(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(furan-2-yl)ethyl]-1,3,5-triazin-2-amine
2209-0050 Screening compound: 4,6-bis(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(furan-2-yl)ethyl]-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2209-0050
4,6-bis(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(furan-2-yl)ethyl]-1,3,5-triazin-2-amine

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

2209-0050

Molecular Formula

C23H16N6OS4 (C23 H16 N6 OS4)

Compound Name

4,6-bis(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(furan-2-yl)ethyl]-1,3,5-triazin-2-amine

IUPAC name

46-bis(13-benzothiazol-2-ylsulfanyl)-N-[2-(furan-2-yl)ethyl]-135-triazin-2-amine

SMILES

C(CNc1nc(Sc2nc(cccc3)c3s2)nc(Sc2nc(cccc3)c3s2)n1)c1ccco1

InChI

InChI=1S/C23H16N6OS4/c1-3-9-17-15(7-1)25-22(31-17)33-20-27-19(24-12-11-14-6-5-13-30-14)28-21(29-20)34-23-26-16-8-2-4-10-18(16)32-23/h1-10,13H,11-12H2,(H,24,27,28,29)

InChI Key

VBTWPTVFWISSHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00775426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.190

Distribution Coefficient, logD

8.190

Water Solubility, LogSw

-6.39

Polar Surface Area

64.128

Acid Dissociation Constant (pKa)

17.56

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

2209-0050 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2209-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2209-0050?
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What is the minimum amount of 2209-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2209-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2209-0050
  • 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 2209-0050 available by request