2081-0812 Screening compound: 3-bromo-N-[2-(3-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide

2081-0812 Screening compound: 3-bromo-N-[2-(3-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide
2081-0812 Screening compound: 3-bromo-N-[2-(3-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-0812
3-bromo-N-[2-(3-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide

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

2081-0812

Molecular Formula

C21H16BrClN4O2 (C21 H16 BrClN4 O2)

Compound Name

3-bromo-N-[2-(3-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide

IUPAC name

3-bromo-N-[2-(3-chlorophenyl)-2H-123-benzotriazol-5-yl]-4-ethoxybenzamide

SMILES

CCOc(ccc(C(Nc1cc2nn(-c3cc(Cl)ccc3)nc2cc1)=O)c1)c1Br

InChI

InChI=1S/C21H16BrClN4O2/c1-2-29-20-9-6-13(10-17(20)22)21(28)24-15-7-8-18-19(12-15)26-27(25-18)16-5-3-4-14(23)11-16/h3-12H,2H2,1H3,(H,24,28)

InChI Key

VSNNGMMKKQZQKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.909

Distribution Coefficient, logD

5.853

Water Solubility, LogSw

-6.06

Polar Surface Area

54.574

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 2081-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-0812?
Check Price and Availability of 2081-0812, 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 2081-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-0812
  • 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 2081-0812 available by request