0062-0036 Screening compound: 1-(5,5,5-trichloropentyl)-1H-1,2,3-benzotriazole

0062-0036 Screening compound: 1-(5,5,5-trichloropentyl)-1H-1,2,3-benzotriazole
0062-0036 Screening compound: 1-(5,5,5-trichloropentyl)-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0062-0036
1-(5,5,5-trichloropentyl)-1H-1,2,3-benzotriazole

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

0062-0036

Molecular Formula

C11H12Cl3N3 (C11 H12 Cl3 N3)

Compound Name

1-(5,5,5-trichloropentyl)-1H-1,2,3-benzotriazole

IUPAC name

1-(555-trichloropentyl)-1H-123-benzotriazole

SMILES

ClC(CCCCn1nnc2c1cccc2)(Cl)Cl

InChI

InChI=1S/C11H12Cl3N3/c12-11(13,14)7-3-4-8-17-10-6-2-1-5-9(10)15-16-17/h1-2,5-6H,3-4,7-8H2

InChI Key

RVXCAKMACGZJSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.59

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.659

Distribution Coefficient, logD

3.659

Water Solubility, LogSw

-3.89

Polar Surface Area

25.914

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 0062-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0062-0036?
Check Price and Availability of 0062-0036, 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 0062-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0062-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0062-0036
  • 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 0062-0036 available by request