6874-3322 Screening compound: 9-methyl-3-{[(6-nitro-1H-1,3-benzimidazol-2-yl)methyl]sulfanyl}-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazole

6874-3322 Screening compound: 9-methyl-3-{[(6-nitro-1H-1,3-benzimidazol-2-yl)methyl]sulfanyl}-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazole
6874-3322 Screening compound: 9-methyl-3-{[(6-nitro-1H-1,3-benzimidazol-2-yl)methyl]sulfanyl}-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6874-3322
9-methyl-3-{[(6-nitro-1H-1,3-benzimidazol-2-yl)methyl]sulfanyl}-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazole

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

6874-3322

Molecular Formula

C17H13N7O2S (C17 H13 N7 O2 S)

Compound Name

9-methyl-3-{[(6-nitro-1H-1,3-benzimidazol-2-yl)methyl]sulfanyl}-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazole

IUPAC name

7-methyl-3-{[(6-nitro-1H-13-benzodiazol-2-yl)methyl]sulfanyl}-2457-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(12)35810-pentaene

SMILES

Cn(c(cccc1)c1n12)c2nnc1SCc1nc(ccc([N+]([O-])=O)c2)c2[nH]1

InChI

InChI=1S/C17H13N7O2S/c1-22-13-4-2-3-5-14(13)23-16(22)20-21-17(23)27-9-15-18-11-7-6-10(24(25)26)8-12(11)19-15/h2-8H,9H2,1H3,(H,18,19)

InChI Key

GHJKSFPXDAPLNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04353784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.118

Distribution Coefficient, logD

2.995

Water Solubility, LogSw

-3.39

Polar Surface Area

79.400

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 6874-3322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6874-3322?
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What is the minimum amount of 6874-3322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6874-3322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6874-3322
  • 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 6874-3322 available by request