8006-3161 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl decanoate

8006-3161 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl decanoate
8006-3161 Screening compound: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl decanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3161
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl decanoate

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

8006-3161

Molecular Formula

C23H29N3O2 (C23 H29 N3 O2)

Compound Name

2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl decanoate

IUPAC name

2-(2H-123-benzotriazol-2-yl)-4-methylphenyl decanoate

SMILES

CCCCCCCCCC(Oc(ccc(C)c1)c1-n1nc(cccc2)c2n1)=O

InChI

InChI=1S/C23H29N3O2/c1-3-4-5-6-7-8-9-14-23(27)28-22-16-15-18(2)17-21(22)26-24-19-12-10-11-13-20(19)25-26/h10-13,15-17H,3-9,14H2,1-2H3

InChI Key

AVCDXLBQOHYDEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00690083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.319

Distribution Coefficient, logD

7.319

Water Solubility, LogSw

-5.55

Polar Surface Area

44.113

Acid Dissociation Constant (pKa)

21.66

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with 8006-3161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3161?
Check Price and Availability of 8006-3161, 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 8006-3161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3161
  • 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 8006-3161 available by request