8014-2849 Screening compound: N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide

8014-2849 Screening compound: N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide
8014-2849 Screening compound: N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2849
N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide

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

8014-2849

Molecular Formula

C15H13N7O2S (C15 H13 N7 O2 S)

Compound Name

N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamide

IUPAC name

N-(4-methyl-125-oxadiazol-3-yl)-2-({5-methyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)acetamide

SMILES

Cc1nonc1NC(CSc1nnc(c(cccc2)c2n2C)c2n1)=O

InChI

InChI=1S/C15H13N7O2S/c1-8-13(21-24-20-8)16-11(23)7-25-15-17-14-12(18-19-15)9-5-3-4-6-10(9)22(14)2/h3-6H,7H2,1-2H3,(H,16,21,23)

InChI Key

JXCZUIJLONBBPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.839

Distribution Coefficient, logD

1.830

Water Solubility, LogSw

-2.38

Polar Surface Area

93.772

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8014-2849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2849?
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What is the minimum amount of 8014-2849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2849
  • 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 8014-2849 available by request