8013-0565 Screening compound: 1H-[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium, 3-iodo-2,6-dimethyl-, inner salt

8013-0565 Screening compound: 1H-[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium, 3-iodo-2,6-dimethyl-, inner salt
8013-0565 Screening compound: 1H-[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium, 3-iodo-2,6-dimethyl-, inner salt alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0565
1H-[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium, 3-iodo-2,6-dimethyl-, inner salt

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

8013-0565

Molecular Formula

C6H7IN4 (C6 H7 IN4)

Compound Name

1H-[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium, 3-iodo-2,6-dimethyl-, inner salt

IUPAC name

3-iodo-26-dimethyl-1H-4lambda5-[123]triazolo[21-a][123]triazol-4-ylium-1-ide

SMILES

Cc1cn([n-]c(C)c2I)[n+]2n1

InChI

InChI=1S/C6H7IN4/c1-4-3-10-9-5(2)6(7)11(10)8-4/h3H,1-2H3

InChI Key

IKTFOZJYXHLSJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32223182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.05

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.180

Distribution Coefficient, logD

1.180

Water Solubility, LogSw

-1.37

Polar Surface Area

25.675

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8013-0565 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-0565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0565?
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What is the minimum amount of 8013-0565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0565
  • 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 8013-0565 available by request