C749-0165 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-AMINE

C749-0165 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-AMINE
C749-0165 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound C749-0165
N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-AMINE

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

C749-0165

Molecular Formula

C17H15N3O4 (C17 H15 N3 O4)

Compound Name

N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-AMINE

IUPAC name

n/a

SMILES

COc(cc1)ccc1-c1noc(NCc(cc2)cc3c2OCO3)n1

InChI

InChI=1S/C17H15N3O4/c1-21-13-5-3-12(4-6-13)16-19-17(24-20-16)18-9-11-2-7-14-15(8-11)23-10-22-14/h2-8H,9-10H2,1H3,(H,18,19,20)

InChI Key

VPBXSBRFRZUCTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.32

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

3.511

Distribution Coefficient, logD

3.511

Water Solubility, LogSw

-3.66

Polar Surface Area

68.122

Acid Dissociation Constant (pKa)

18.82

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C749-0165 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 C749-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C749-0165?
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What is the minimum amount of C749-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C749-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C749-0165
  • 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 C749-0165 available by request