3616-1977 Screening compound: 4-bromo-N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide

3616-1977 Screening compound: 4-bromo-N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide
3616-1977 Screening compound: 4-bromo-N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-1977
4-bromo-N-(6-methyl-2-phenyl-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

3616-1977

Molecular Formula

C20H15BrN4O (C20 H15 BrN4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc2nn(-c3ccccc3)nc2cc1NC(c(cc1)ccc1Br)=O

InChI

InChI=1S/C20H15BrN4O/c1-13-11-18-19(24-25(23-18)16-5-3-2-4-6-16)12-17(13)22-20(26)14-7-9-15(21)10-8-14/h2-12H,1H3,(H,22,26)

InChI Key

YMSBJNLDDKHUSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.890

Distribution Coefficient, logD

4.708

Water Solubility, LogSw

-4.64

Polar Surface Area

46.666

Acid Dissociation Constant (pKa)

7.68

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 3616-1977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-1977?
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What is the minimum amount of 3616-1977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-1977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-1977
  • 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 3616-1977 available by request