7167-1700 Screening compound: 4-nitro-5-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-2,1,3-benzothiadiazole

7167-1700 Screening compound: 4-nitro-5-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-2,1,3-benzothiadiazole
7167-1700 Screening compound: 4-nitro-5-({5-propyl-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 7167-1700
4-nitro-5-({5-propyl-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

7167-1700

Molecular Formula

C18H13N7O2S2 (C18 H13 N7 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCn1c2nc(Sc(ccc3nsnc33)c3[N+]([O-])=O)nnc2c2c1cccc2

InChI

InChI=1S/C18H13N7O2S2/c1-2-9-24-12-6-4-3-5-10(12)14-17(24)19-18(21-20-14)28-13-8-7-11-15(23-29-22-11)16(13)25(26)27/h3-8H,2,9H2,1H3

InChI Key

UDWUCKCJBWVNJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05998053

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

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.937

Distribution Coefficient, logD

4.937

Water Solubility, LogSw

-4.91

Polar Surface Area

86.689

Acid Dissociation Constant (pKa)

25.03

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 7167-1700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7167-1700?
Check Price and Availability of 7167-1700, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7167-1700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7167-1700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7167-1700
  • 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 7167-1700 available by request