3370-4441 Screening compound: 3-bromo-4-ethoxy-N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide

3370-4441 Screening compound: 3-bromo-4-ethoxy-N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide
3370-4441 Screening compound: 3-bromo-4-ethoxy-N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3370-4441
3-bromo-4-ethoxy-N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide

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

3370-4441

Molecular Formula

C23H21BrN4O2 (C23 H21 BrN4 O2)

Compound Name

3-bromo-4-ethoxy-N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide

IUPAC name

3-bromo-4-ethoxy-N-[6-methyl-2-(4-methylphenyl)-2H-123-benzotriazol-5-yl]benzamide

SMILES

CCOc(ccc(C(Nc1cc2nn(-c3ccc(C)cc3)nc2cc1C)=O)c1)c1Br

InChI

InChI=1S/C23H21BrN4O2/c1-4-30-22-10-7-16(12-18(22)24)23(29)25-19-13-21-20(11-15(19)3)26-28(27-21)17-8-5-14(2)6-9-17/h5-13H,4H2,1-3H3,(H,25,29)

InChI Key

MPXFNZUMJDZBAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02630059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.35

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

5.605

Distribution Coefficient, logD

5.513

Water Solubility, LogSw

-5.37

Polar Surface Area

53.876

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 3370-4441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3370-4441?
Check Price and Availability of 3370-4441, 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 3370-4441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3370-4441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3370-4441
  • 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 3370-4441 available by request