P507-1247 Screening compound: N,N-dimethyl-3-[3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline

P507-1247 Screening compound: N,N-dimethyl-3-[3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
P507-1247 Screening compound: N,N-dimethyl-3-[3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound P507-1247
N,N-dimethyl-3-[3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline

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

P507-1247

Molecular Formula

C19H18N6O (C19 H18 N6 O)

Compound Name

N,N-dimethyl-3-[3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline

IUPAC name

NN-dimethyl-3-[3-(5-methyl-1-phenyl-1H-123-triazol-4-yl)-124-oxadiazol-5-yl]aniline

SMILES

Cc1c(-c2noc(-c3cc(N(C)C)ccc3)n2)nnn1-c1ccccc1

InChI

InChI=1S/C19H18N6O/c1-13-17(21-23-25(13)15-9-5-4-6-10-15)18-20-19(26-22-18)14-8-7-11-16(12-14)24(2)3/h4-12H,1-3H3

InChI Key

NESOFXTUYRAFAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27577451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.686

Distribution Coefficient, logD

3.685

Water Solubility, LogSw

-4.02

Polar Surface Area

61.292

Acid Dissociation Constant (pKa)

22.65

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

P507-1247 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 P507-1247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P507-1247?
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What is the minimum amount of P507-1247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P507-1247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P507-1247
  • 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 P507-1247 available by request