8017-4570 Screening compound: 3-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole

8017-4570 Screening compound: 3-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole
8017-4570 Screening compound: 3-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4570
3-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole

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

8017-4570

Molecular Formula

C15H15FN6O2S (C15 H15 FN6 O2 S)

Compound Name

3-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole

IUPAC name

3-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-124-triazole

SMILES

Cc(n1Cc(n2C)nnc2SCc2cc(F)ccc2)ncc1[N+]([O-])=O

InChI

InChI=1S/C15H15FN6O2S/c1-10-17-7-14(22(23)24)21(10)8-13-18-19-15(20(13)2)25-9-11-4-3-5-12(16)6-11/h3-7H,8-9H2,1-2H3

InChI Key

STMKZCMTSNXUEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.842

Distribution Coefficient, logD

1.817

Water Solubility, LogSw

-1.98

Polar Surface Area

70.748

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8017-4570 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-4570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4570?
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What is the minimum amount of 8017-4570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4570
  • 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 8017-4570 available by request