8016-4796 Screening compound: 4-nitro-6-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-2,1,3-benzothiadiazole

8016-4796 Screening compound: 4-nitro-6-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-2,1,3-benzothiadiazole
8016-4796 Screening compound: 4-nitro-6-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4796
4-nitro-6-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-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

8016-4796

Molecular Formula

C18H13N7O2S2 (C18 H13 N7 O2 S2)

Compound Name

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

IUPAC name

4-nitro-6-{[5-(propan-2-yl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}-213-benzothiadiazole

SMILES

CC(C)n1c2nc(Sc3cc4nsnc4c([N+]([O-])=O)c3)nnc2c2c1cccc2

InChI

InChI=1S/C18H13N7O2S2/c1-9(2)24-13-6-4-3-5-11(13)15-17(24)19-18(21-20-15)28-10-7-12-16(23-29-22-12)14(8-10)25(26)27/h3-9H,1-2H3

InChI Key

QYMZRXFTYFTYHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.403

Distribution Coefficient, logD

4.403

Water Solubility, LogSw

-4.51

Polar Surface Area

88.087

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8016-4796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4796?
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What is the minimum amount of 8016-4796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4796
  • 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 8016-4796 available by request