7682-0574 Screening compound: 2-[3-(1,3-benzothiazol-2-yl)-5-butyl-1,3,5-triazinan-1-yl]-1,3-benzothiazole

7682-0574 Screening compound: 2-[3-(1,3-benzothiazol-2-yl)-5-butyl-1,3,5-triazinan-1-yl]-1,3-benzothiazole
7682-0574 Screening compound: 2-[3-(1,3-benzothiazol-2-yl)-5-butyl-1,3,5-triazinan-1-yl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7682-0574
2-[3-(1,3-benzothiazol-2-yl)-5-butyl-1,3,5-triazinan-1-yl]-1,3-benzothiazole

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

7682-0574

Molecular Formula

C21H23N5S2 (C21 H23 N5 S2)

Compound Name

2-[3-(1,3-benzothiazol-2-yl)-5-butyl-1,3,5-triazinan-1-yl]-1,3-benzothiazole

IUPAC name

2-[3-(13-benzothiazol-2-yl)-5-butyl-135-triazinan-1-yl]-13-benzothiazole

SMILES

CCCCN(CN(C1)c2nc(cccc3)c3s2)CN1c1nc(cccc2)c2s1

InChI

InChI=1S/C21H23N5S2/c1-2-3-12-24-13-25(20-22-16-8-4-6-10-18(16)27-20)15-26(14-24)21-23-17-9-5-7-11-19(17)28-21/h4-11H,2-3,12-15H2,1H3

InChI Key

WOSGNLAGAKLKFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06192569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.922

Distribution Coefficient, logD

6.914

Water Solubility, LogSw

-5.85

Polar Surface Area

32.032

Acid Dissociation Constant (pKa)

18.31

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 7682-0574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7682-0574?
Check Price and Availability of 7682-0574, 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 7682-0574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7682-0574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7682-0574
  • 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 7682-0574 available by request