8010-0095 Screening compound: 4-amino-N'~3~-{(E)-1-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylidene}-1,2,5-oxadiazole-3-carbohydrazonamide

8010-0095 Screening compound: 4-amino-N'~3~-{(E)-1-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylidene}-1,2,5-oxadiazole-3-carbohydrazonamide
8010-0095 Screening compound: 4-amino-N'~3~-{(E)-1-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylidene}-1,2,5-oxadiazole-3-carbohydrazonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0095
4-amino-N'~3~-{(E)-1-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylidene}-1,2,5-oxadiazole-3-carbohydrazonamide

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

8010-0095

Molecular Formula

C11H13N7O3 (C11 H13 N7 O3)

Compound Name

4-amino-N'~3~-{(E)-1-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylidene}-1,2,5-oxadiazole-3-carbohydrazonamide

IUPAC name

(Z)-4-amino-N'-[(E)-{[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylidene}amino]-125-oxadiazole-3-carboximidamide

SMILES

Cc1ncc(CO)c(/C=N/N=C(/c2nonc2N)\N)c1O

InChI

InChI=1S/C11H13N7O3/c1-5-9(20)7(6(4-19)2-14-5)3-15-16-10(12)8-11(13)18-21-17-8/h2-3,19-20H,4H2,1H3,(H2,12,16)(H2,13,18)

InChI Key

WTCXLPRUVJRAJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110270

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

291.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.347

Distribution Coefficient, logD

0.285

Water Solubility, LogSw

-0.98

Polar Surface Area

138.917

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8010-0095 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 8010-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0095?
Check Price and Availability of 8010-0095, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8010-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0095
  • 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 8010-0095 available by request