3970-0159 Screening compound: N-(4-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-yl)acetamide

3970-0159 Screening compound: N-(4-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-yl)acetamide
3970-0159 Screening compound: N-(4-{1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3970-0159
N-(4-{1-[(2-methylphenyl)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

3970-0159

Molecular Formula

C19H17N5O2 (C19 H17 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nonc1-c1nc(cccc2)c2n1Cc1c(C)cccc1)=O

InChI

InChI=1S/C19H17N5O2/c1-12-7-3-4-8-14(12)11-24-16-10-6-5-9-15(16)21-19(24)17-18(20-13(2)25)23-26-22-17/h3-10H,11H2,1-2H3,(H,20,23,25)

InChI Key

ILRCWWDAGZVEBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02623501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.38

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

4.395

Distribution Coefficient, logD

4.387

Water Solubility, LogSw

-4.31

Polar Surface Area

70.185

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

3970-0159 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3970-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3970-0159?
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What is the minimum amount of 3970-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3970-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3970-0159
  • 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 3970-0159 available by request