4528-0020 Screening compound: N-[2-(4-ethylphenyl)-2H-1,2,3-benzotriazol-5-yl]-3,4-dimethoxybenzamide

4528-0020 Screening compound: N-[2-(4-ethylphenyl)-2H-1,2,3-benzotriazol-5-yl]-3,4-dimethoxybenzamide
4528-0020 Screening compound: N-[2-(4-ethylphenyl)-2H-1,2,3-benzotriazol-5-yl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4528-0020
N-[2-(4-ethylphenyl)-2H-1,2,3-benzotriazol-5-yl]-3,4-dimethoxybenzamide

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

4528-0020

Molecular Formula

C23H22N4O3 (C23 H22 N4 O3)

Compound Name

N-[2-(4-ethylphenyl)-2H-1,2,3-benzotriazol-5-yl]-3,4-dimethoxybenzamide

IUPAC name

N-[2-(4-ethylphenyl)-2H-123-benzotriazol-5-yl]-34-dimethoxybenzamide

SMILES

CCc(cc1)ccc1-n1nc(cc(cc2)NC(c(cc3)cc(OC)c3OC)=O)c2n1

InChI

InChI=1S/C23H22N4O3/c1-4-15-5-9-18(10-6-15)27-25-19-11-8-17(14-20(19)26-27)24-23(28)16-7-12-21(29-2)22(13-16)30-3/h5-14H,4H2,1-3H3,(H,24,28)

InChI Key

MPSTZJGPOQDBEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03060997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.850

Distribution Coefficient, logD

4.848

Water Solubility, LogSw

-4.63

Polar Surface Area

62.625

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 4528-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4528-0020?
Check Price and Availability of 4528-0020, 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 4528-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4528-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4528-0020
  • 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 4528-0020 available by request