8006-2644 Screening compound: (1E)-N1-{[2-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3,4-tetrazole-1,5-diamine

8006-2644 Screening compound: (1E)-N1-{[2-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3,4-tetrazole-1,5-diamine
8006-2644 Screening compound: (1E)-N1-{[2-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3,4-tetrazole-1,5-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2644
(1E)-N1-{[2-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3,4-tetrazole-1,5-diamine

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

8006-2644

Molecular Formula

C9H7F3N6 (C9 H7 F3 N6)

Compound Name

(1E)-N1-{[2-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3,4-tetrazole-1,5-diamine

IUPAC name

(1E)-N1-{[2-(trifluoromethyl)phenyl]methylidene}-1H-1234-tetrazole-15-diamine

SMILES

Nc1nnnn1/N=C/c1c(C(F)(F)F)cccc1

InChI

InChI=1S/C9H7F3N6/c10-9(11,12)7-4-2-1-3-6(7)5-14-18-8(13)15-16-17-18/h1-5H,(H2,13,15,17)

InChI Key

CVCZMJLTDUIGIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.270

Distribution Coefficient, logD

1.270

Water Solubility, LogSw

-1.90

Polar Surface Area

69.799

Acid Dissociation Constant (pKa)

18.52

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8006-2644 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8006-2644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2644?
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What is the minimum amount of 8006-2644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2644
  • 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 8006-2644 available by request