6011-0618 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide

6011-0618 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
6011-0618 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6011-0618
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-[(dimethylamino)methyl]-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

6011-0618

Molecular Formula

C15H15ClFN9O2 (C15 H15 ClFN9 O2)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-[(dimethylamino)methyl]-1H-123-triazole-4-carbohydrazide

SMILES

CN(C)Cc1c(C(N/N=C/c(c(F)ccc2)c2Cl)=O)nnn1-c1nonc1N

InChI

InChI=1S/C15H15ClFN9O2/c1-25(2)7-11-12(20-24-26(11)14-13(18)22-28-23-14)15(27)21-19-6-8-9(16)4-3-5-10(8)17/h3-6H,7H2,1-2H3,(H2,18,22)(H,21,27)

InChI Key

GKSRWBJZBWLOQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03339406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.79

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.417

Distribution Coefficient, logD

1.417

Water Solubility, LogSw

-2.49

Polar Surface Area

122.042

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 6011-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 6011-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6011-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6011-0618
  • 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 6011-0618 available by request