8016-3430 Screening compound: 1-(3,4-dimethylphenyl)-5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-1H-1,2,3,4-tetrazole

8016-3430 Screening compound: 1-(3,4-dimethylphenyl)-5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-1H-1,2,3,4-tetrazole
8016-3430 Screening compound: 1-(3,4-dimethylphenyl)-5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3430
1-(3,4-dimethylphenyl)-5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-1H-1,2,3,4-tetrazole

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

8016-3430

Molecular Formula

C18H15FN8O2S (C18 H15 FN8 O2 S)

Compound Name

1-(3,4-dimethylphenyl)-5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazol-5-yl}sulfanyl)-1H-1,2,3,4-tetrazole

IUPAC name

1-(34-dimethylphenyl)-5-({1-[(2-fluorophenyl)methyl]-3-nitro-1H-124-triazol-5-yl}sulfanyl)-1H-1234-tetrazole

SMILES

Cc(cc1)c(C)cc1-n1nnnc1Sc1nc([N+]([O-])=O)nn1Cc(cccc1)c1F

InChI

InChI=1S/C18H15FN8O2S/c1-11-7-8-14(9-12(11)2)26-18(21-23-24-26)30-17-20-16(27(28)29)22-25(17)10-13-5-3-4-6-15(13)19/h3-9H,10H2,1-2H3

InChI Key

FCHLGCOVFJWNJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.605

Distribution Coefficient, logD

4.605

Water Solubility, LogSw

-4.48

Polar Surface Area

96.565

Acid Dissociation Constant (pKa)

24.15

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8016-3430 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3430
  • 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 8016-3430 available by request