8016-4116 Screening compound: 4-(1H-1,2,3-benzotriazol-1-yl)-2-cyano-5-(2,3,6-trimethylphenoxy)phenyl cyanide

8016-4116 Screening compound: 4-(1H-1,2,3-benzotriazol-1-yl)-2-cyano-5-(2,3,6-trimethylphenoxy)phenyl cyanide
8016-4116 Screening compound: 4-(1H-1,2,3-benzotriazol-1-yl)-2-cyano-5-(2,3,6-trimethylphenoxy)phenyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4116
4-(1H-1,2,3-benzotriazol-1-yl)-2-cyano-5-(2,3,6-trimethylphenoxy)phenyl cyanide

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

8016-4116

Molecular Formula

C23H17N5O (C23 H17 N5 O)

Compound Name

4-(1H-1,2,3-benzotriazol-1-yl)-2-cyano-5-(2,3,6-trimethylphenoxy)phenyl cyanide

IUPAC name

n/a

SMILES

Cc1ccc(C)c(Oc(cc(c(C#N)c2)C#N)c2-n2nnc3c2cccc3)c1C

InChI

InChI=1S/C23H17N5O/c1-14-8-9-15(2)23(16(14)3)29-22-11-18(13-25)17(12-24)10-21(22)28-20-7-5-4-6-19(20)26-27-28/h4-11H,1-3H3

InChI Key

HZIOJPVLZNMRSE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.331

Distribution Coefficient, logD

5.331

Water Solubility, LogSw

-5.54

Polar Surface Area

66.620

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 8016-4116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4116?
Check Price and Availability of 8016-4116, 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 8016-4116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4116
  • 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 8016-4116 available by request