4478-5353 Screening compound: 1,8-bis(1H-1,2,3-benzotriazol-1-yl)octane-1,8-dione

4478-5353 Screening compound: 1,8-bis(1H-1,2,3-benzotriazol-1-yl)octane-1,8-dione
4478-5353 Screening compound: 1,8-bis(1H-1,2,3-benzotriazol-1-yl)octane-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-5353
1,8-bis(1H-1,2,3-benzotriazol-1-yl)octane-1,8-dione

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

4478-5353

Molecular Formula

C20H20N6O2 (C20 H20 N6 O2)

Compound Name

1,8-bis(1H-1,2,3-benzotriazol-1-yl)octane-1,8-dione

IUPAC name

18-bis(1H-123-benzotriazol-1-yl)octane-18-dione

SMILES

O=C(CCCCCCC(n1nnc2c1cccc2)=O)n1nnc2c1cccc2

InChI

InChI=1S/C20H20N6O2/c27-19(25-17-11-7-5-9-15(17)21-23-25)13-3-1-2-4-14-20(28)26-18-12-8-6-10-16(18)22-24-26/h5-12H,1-4,13-14H2

InChI Key

GKWLBJNKSAHDAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00550350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.360

Distribution Coefficient, logD

2.360

Water Solubility, LogSw

-2.37

Polar Surface Area

76.971

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 4478-5353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-5353?
Check Price and Availability of 4478-5353, 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 4478-5353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-5353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-5353
  • 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 4478-5353 available by request