D036-1711 Screening compound: 1-(4-fluorophenyl)-4-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butan-1-one

D036-1711 Screening compound: 1-(4-fluorophenyl)-4-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butan-1-one
D036-1711 Screening compound: 1-(4-fluorophenyl)-4-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D036-1711
1-(4-fluorophenyl)-4-({5-methyl-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

D036-1711

Molecular Formula

C20H17FN4OS (C20 H17 FN4 OS)

Compound Name

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

IUPAC name

1-(4-fluorophenyl)-4-({5-methyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)butan-1-one

SMILES

Cn1c2nc(SCCCC(c(cc3)ccc3F)=O)nnc2c2c1cccc2

InChI

InChI=1S/C20H17FN4OS/c1-25-16-6-3-2-5-15(16)18-19(25)22-20(24-23-18)27-12-4-7-17(26)13-8-10-14(21)11-9-13/h2-3,5-6,8-11H,4,7,12H2,1H3

InChI Key

VMLGEMRKTANWNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.679

Distribution Coefficient, logD

3.679

Water Solubility, LogSw

-4.03

Polar Surface Area

47.035

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D036-1711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D036-1711?
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What is the minimum amount of D036-1711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D036-1711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D036-1711
  • 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 D036-1711 available by request