8016-0478 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-2,3,4,5-tetrafluorobenzamide

8016-0478 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-2,3,4,5-tetrafluorobenzamide
8016-0478 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-2,3,4,5-tetrafluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0478
N-[(1H-1,3-benzodiazol-2-yl)methyl]-2,3,4,5-tetrafluorobenzamide

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

8016-0478

Molecular Formula

C15H9F4N3O (C15 H9 F4 N3 O)

Compound Name

N-[(1H-1,3-benzodiazol-2-yl)methyl]-2,3,4,5-tetrafluorobenzamide

IUPAC name

N-[(1H-13-benzodiazol-2-yl)methyl]-2345-tetrafluorobenzamide

SMILES

O=C(c(cc(c(F)c1F)F)c1F)NCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C15H9F4N3O/c16-8-5-7(12(17)14(19)13(8)18)15(23)20-6-11-21-9-3-1-2-4-10(9)22-11/h1-5H,6H2,(H,20,23)(H,21,22)

InChI Key

YIGWNRYWSWYORH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.625

Distribution Coefficient, logD

3.369

Water Solubility, LogSw

-4.06

Polar Surface Area

44.933

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 8016-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0478?
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What is the minimum amount of 8016-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0478
  • 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 8016-0478 available by request