5408-2626 Screening compound: N-(4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-yl)acetamide

5408-2626 Screening compound: N-(4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-yl)acetamide
5408-2626 Screening compound: N-(4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-2626
N-(4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-yl)acetamide

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

5408-2626

Molecular Formula

C18H13ClFN5O2 (C18 H13 ClFN5 O2)

Compound Name

N-(4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-yl)acetamide

IUPAC name

N-(4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}-125-oxadiazol-3-yl)acetamide

SMILES

CC(Nc1nonc1-c1nc(cccc2)c2n1Cc(c(F)ccc1)c1Cl)=O

InChI

InChI=1S/C18H13ClFN5O2/c1-10(26)21-17-16(23-27-24-17)18-22-14-7-2-3-8-15(14)25(18)9-11-12(19)5-4-6-13(11)20/h2-8H,9H2,1H3,(H,21,24,26)

InChI Key

YKCFKTXBSBEZRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01359844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

4.245

Water Solubility, LogSw

-4.32

Polar Surface Area

70.185

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5408-2626 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5408-2626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-2626?
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What is the minimum amount of 5408-2626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-2626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-2626
  • 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 5408-2626 available by request