8015-3180 Screening compound: 2-{[(E)-[amino(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy}-N-[4-(trifluoromethoxy)phenyl]acetamide

8015-3180 Screening compound: 2-{[(E)-[amino(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy}-N-[4-(trifluoromethoxy)phenyl]acetamide
8015-3180 Screening compound: 2-{[(E)-[amino(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy}-N-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3180
2-{[(E)-[amino(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy}-N-[4-(trifluoromethoxy)phenyl]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

8015-3180

Molecular Formula

C12H11F3N6O4 (C12 H11 F3 N6 O4)

Compound Name

2-{[(E)-[amino(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy}-N-[4-(trifluoromethoxy)phenyl]acetamide

IUPAC name

2-{[(E)-[amino(4-amino-125-oxadiazol-3-yl)methylidene]amino]oxy}-N-[4-(trifluoromethoxy)phenyl]acetamide

SMILES

N/C(/c1nonc1N)=N/OCC(Nc(cc1)ccc1OC(F)(F)F)=O

InChI

InChI=1S/C12H11F3N6O4/c13-12(14,15)24-7-3-1-6(2-4-7)18-8(22)5-23-20-10(16)9-11(17)21-25-19-9/h1-4H,5H2,(H2,16,20)(H2,17,21)(H,18,22)

InChI Key

BCUVBXYMPGCSHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.285

Distribution Coefficient, logD

2.285

Water Solubility, LogSw

-2.95

Polar Surface Area

125.899

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8015-3180 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-3180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3180?
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What is the minimum amount of 8015-3180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3180
  • 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 8015-3180 available by request