D036-1721 Screening compound: 1-[3-nitro-4-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)phenyl]ethan-1-one

D036-1721 Screening compound: 1-[3-nitro-4-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)phenyl]ethan-1-one
D036-1721 Screening compound: 1-[3-nitro-4-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D036-1721
1-[3-nitro-4-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)phenyl]ethan-1-one

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

D036-1721

Molecular Formula

C20H17N5O3S (C20 H17 N5 O3 S)

Compound Name

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

IUPAC name

1-[3-nitro-4-({5-propyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)phenyl]ethan-1-one

SMILES

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

InChI

InChI=1S/C20H17N5O3S/c1-3-10-24-15-7-5-4-6-14(15)18-19(24)21-20(23-22-18)29-17-9-8-13(12(2)26)11-16(17)25(27)28/h4-9,11H,3,10H2,1-2H3

InChI Key

BFBDCNRVVDASRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.568

Distribution Coefficient, logD

4.568

Water Solubility, LogSw

-4.40

Polar Surface Area

79.864

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D036-1721 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D036-1721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D036-1721?
Check Price and Availability of D036-1721, 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 D036-1721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D036-1721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D036-1721
  • 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 D036-1721 available by request