8018-8187 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid

8018-8187 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
8018-8187 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8187
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid

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

8018-8187

Molecular Formula

C16H12N10O3S (C16 H12 N10 O3 S)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-[({5-methyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)methyl]-1H-123-triazole-4-carboxylic acid

SMILES

Cn1c2nc(SCc3c(C(O)=O)nnn3-c3nonc3N)nnc2c2c1cccc2

InChI

InChI=1S/C16H12N10O3S/c1-25-8-5-3-2-4-7(8)10-13(25)18-16(21-19-10)30-6-9-11(15(27)28)20-24-26(9)14-12(17)22-29-23-14/h2-5H,6H2,1H3,(H2,17,22)(H,27,28)

InChI Key

FFUMTYNPMWVHMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

0.868

Distribution Coefficient, logD

-5.150

Water Solubility, LogSw

-1.87

Polar Surface Area

144.797

Acid Dissociation Constant (pKa)

1.38

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8018-8187 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-8187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8187?
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What is the minimum amount of 8018-8187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8187
  • 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 8018-8187 available by request