F019-0698 Screening compound: 3-bromo-N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]benzamide

F019-0698 Screening compound: 3-bromo-N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]benzamide
F019-0698 Screening compound: 3-bromo-N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F019-0698
3-bromo-N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-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

F019-0698

Molecular Formula

C21H16BrClN4O2 (C21 H16 BrClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc2nn(-c(cc3)cc(Cl)c3OC)nc2cc1NC(c1cccc(Br)c1)=O

InChI

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

InChI Key

DUPGSZLHWCWMEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142415

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

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.371

Distribution Coefficient, logD

5.202

Water Solubility, LogSw

-6.09

Polar Surface Area

54.296

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with F019-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F019-0698?
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What is the minimum amount of F019-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F019-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F019-0698
  • 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 F019-0698 available by request