D036-1718 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one

D036-1718 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one
D036-1718 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D036-1718
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-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

D036-1718

Molecular Formula

C24H22N4O3S (C24 H22 N4 O3 S)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-4-{[5-(prop-2-en-1-yl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}butan-1-one

SMILES

C=CCn1c2nc(SCCCC(c(cc3)cc4c3OCCO4)=O)nnc2c2c1cccc2

InChI

InChI=1S/C24H22N4O3S/c1-2-11-28-18-7-4-3-6-17(18)22-23(28)25-24(27-26-22)32-14-5-8-19(29)16-9-10-20-21(15-16)31-13-12-30-20/h2-4,6-7,9-10,15H,1,5,8,11-14H2

InChI Key

OGVUCKXDLHEKKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.869

Distribution Coefficient, logD

3.869

Water Solubility, LogSw

-4.27

Polar Surface Area

62.027

Acid Dissociation Constant (pKa)

21.45

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D036-1718 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D036-1718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D036-1718?
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What is the minimum amount of D036-1718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D036-1718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D036-1718
  • 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 D036-1718 available by request