8018-8487 Screening compound: 3-{4-[(4-methoxyphenyl)amino]-1,2,5-oxadiazol-3-yl}-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine

8018-8487 Screening compound: 3-{4-[(4-methoxyphenyl)amino]-1,2,5-oxadiazol-3-yl}-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
8018-8487 Screening compound: 3-{4-[(4-methoxyphenyl)amino]-1,2,5-oxadiazol-3-yl}-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8487
3-{4-[(4-methoxyphenyl)amino]-1,2,5-oxadiazol-3-yl}-N-[(4-methoxyphenyl)methyl]-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

8018-8487

Molecular Formula

C19H18N6O4 (C19 H18 N6 O4)

Compound Name

3-{4-[(4-methoxyphenyl)amino]-1,2,5-oxadiazol-3-yl}-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine

IUPAC name

3-{4-[(4-methoxyphenyl)amino]-125-oxadiazol-3-yl}-N-[(4-methoxyphenyl)methyl]-124-oxadiazol-5-amine

SMILES

COc1ccc(CNc2nc(-c3nonc3Nc(cc3)ccc3OC)no2)cc1

InChI

InChI=1S/C19H18N6O4/c1-26-14-7-3-12(4-8-14)11-20-19-22-18(24-28-19)16-17(25-29-23-16)21-13-5-9-15(27-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,25)(H,20,22,24)

InChI Key

OHQWUJVKUHTMOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.012

Distribution Coefficient, logD

4.012

Water Solubility, LogSw

-4.26

Polar Surface Area

104.491

Acid Dissociation Constant (pKa)

17.51

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

8018-8487 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-8487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8487?
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What is the minimum amount of 8018-8487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8487
  • 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 8018-8487 available by request