8016-4794 Screening compound: 6-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-4-nitro-2,1,3-benzothiadiazole

8016-4794 Screening compound: 6-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-4-nitro-2,1,3-benzothiadiazole
8016-4794 Screening compound: 6-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-4-nitro-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4794
6-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-4-nitro-2,1,3-benzothiadiazole

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

8016-4794

Molecular Formula

C16H9N7O2S2 (C16 H9 N7 O2 S2)

Compound Name

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

IUPAC name

6-({5-methyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)-4-nitro-213-benzothiadiazole

SMILES

Cn1c2nc(Sc3cc4nsnc4c([N+]([O-])=O)c3)nnc2c2c1cccc2

InChI

InChI=1S/C16H9N7O2S2/c1-22-11-5-3-2-4-9(11)13-15(22)17-16(19-18-13)26-8-6-10-14(21-27-20-10)12(7-8)23(24)25/h2-7H,1H3

InChI Key

RKRCPGPKMBXADU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.571

Distribution Coefficient, logD

3.571

Water Solubility, LogSw

-4.11

Polar Surface Area

87.822

Acid Dissociation Constant (pKa)

27.03

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 8016-4794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4794?
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What is the minimum amount of 8016-4794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4794
  • 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 8016-4794 available by request