3616-1294 Screening compound: N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-4-nitrobenzamide

3616-1294 Screening compound: N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-4-nitrobenzamide
3616-1294 Screening compound: N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-1294
N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-4-nitrobenzamide

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

3616-1294

Molecular Formula

C20H15N5O3 (C20 H15 N5 O3)

Compound Name

N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-4-nitrobenzamide

IUPAC name

N-(6-methyl-2-phenyl-2H-123-benzotriazol-5-yl)-4-nitrobenzamide

SMILES

Cc1cc2nn(-c3ccccc3)nc2cc1NC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C20H15N5O3/c1-13-11-18-19(23-24(22-18)15-5-3-2-4-6-15)12-17(13)21-20(26)14-7-9-16(10-8-14)25(27)28/h2-12H,1H3,(H,21,26)

InChI Key

QZOKMULJKFLZSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02615151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.981

Distribution Coefficient, logD

3.944

Water Solubility, LogSw

-4.15

Polar Surface Area

80.048

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 3616-1294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-1294?
Check Price and Availability of 3616-1294, 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 3616-1294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-1294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-1294
  • 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 3616-1294 available by request