8006-9643 Screening compound: 4-{4-[(1E)-1-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazin-1-ylidene]ethyl]-5-methyl-1H-1,2,3-triazol-1-yl}-1,2,5-oxadiazol-3-amine

8006-9643 Screening compound: 4-{4-[(1E)-1-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazin-1-ylidene]ethyl]-5-methyl-1H-1,2,3-triazol-1-yl}-1,2,5-oxadiazol-3-amine
8006-9643 Screening compound: 4-{4-[(1E)-1-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazin-1-ylidene]ethyl]-5-methyl-1H-1,2,3-triazol-1-yl}-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9643
4-{4-[(1E)-1-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazin-1-ylidene]ethyl]-5-methyl-1H-1,2,3-triazol-1-yl}-1,2,5-oxadiazol-3-amine

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

8006-9643

Molecular Formula

C14H13FN8O (C14 H13 FN8 O)

Compound Name

4-{4-[(1E)-1-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazin-1-ylidene]ethyl]-5-methyl-1H-1,2,3-triazol-1-yl}-1,2,5-oxadiazol-3-amine

IUPAC name

4-{4-[(1E)-1-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazin-1-ylidene]ethyl]-5-methyl-1H-123-triazol-1-yl}-125-oxadiazol-3-amine

SMILES

C/C(/c1c(C)n(-c2nonc2N)nn1)=N\N=C\c(cccc1)c1F

InChI

InChI=1S/C14H13FN8O/c1-8(18-17-7-10-5-3-4-6-11(10)15)12-9(2)23(22-19-12)14-13(16)20-24-21-14/h3-7H,1-2H3,(H2,16,20)

InChI Key

CKZDGUMGSDYQEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00759627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.338

Distribution Coefficient, logD

2.338

Water Solubility, LogSw

-2.57

Polar Surface Area

102.052

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8006-9643 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-9643 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8006-9643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9643
  • 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 8006-9643 available by request