8012-5113 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]piperidine-4-carbohydrazide

8012-5113 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]piperidine-4-carbohydrazide
8012-5113 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]piperidine-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5113
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]piperidine-4-carbohydrazide

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

8012-5113

Molecular Formula

C17H22N6O4 (C17 H22 N6 O4)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]piperidine-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(E)-(34-dimethoxyphenyl)methylidene]piperidine-4-carbohydrazide

SMILES

COc(ccc(/C=N/NC(C(CC1)CCN1c1nonc1N)=O)c1)c1OC

InChI

InChI=1S/C17H22N6O4/c1-25-13-4-3-11(9-14(13)26-2)10-19-20-17(24)12-5-7-23(8-6-12)16-15(18)21-27-22-16/h3-4,9-10,12H,5-8H2,1-2H3,(H2,18,21)(H,20,24)

InChI Key

XYHIARSKKLKCCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.036

Distribution Coefficient, logD

2.035

Water Solubility, LogSw

-2.71

Polar Surface Area

110.515

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

8012-5113 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 8012-5113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5113?
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What is the minimum amount of 8012-5113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5113
  • 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 8012-5113 available by request