6011-0566 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-[4-(propan-2-yloxy)phenyl]methylidene]-1H-1,2,3-triazole-4-carbohydrazide

6011-0566 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-[4-(propan-2-yloxy)phenyl]methylidene]-1H-1,2,3-triazole-4-carbohydrazide
6011-0566 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-[4-(propan-2-yloxy)phenyl]methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6011-0566
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-[4-(propan-2-yloxy)phenyl]methylidene]-1H-1,2,3-triazole-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

6011-0566

Molecular Formula

C18H23N9O3 (C18 H23 N9 O3)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-[4-(propan-2-yloxy)phenyl]methylidene]-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-[4-(propan-2-yloxy)phenyl]methylidene]-1H-123-triazole-4-carbohydrazide

SMILES

CC(C)Oc1ccc(/C=N/NC(c2c(CN(C)C)n(-c3nonc3N)nn2)=O)cc1

InChI

InChI=1S/C18H23N9O3/c1-11(2)29-13-7-5-12(6-8-13)9-20-22-18(28)15-14(10-26(3)4)27(25-21-15)17-16(19)23-30-24-17/h5-9,11H,10H2,1-4H3,(H2,19,23)(H,22,28)

InChI Key

JJABZIDHPOCZBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04034387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.306

Distribution Coefficient, logD

0.846

Water Solubility, LogSw

-2.24

Polar Surface Area

128.845

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 6011-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6011-0566?
Check Price and Availability of 6011-0566, 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 6011-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6011-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6011-0566
  • 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 6011-0566 available by request