4634-0191 Screening compound: 1-{4a-hydroxy-8-methyl-3-sulfanylidene-2H,3H,4H,4aH,5H-[1,2,4]triazino[5,6-b]indol-5-yl}ethan-1-one

4634-0191 Screening compound: 1-{4a-hydroxy-8-methyl-3-sulfanylidene-2H,3H,4H,4aH,5H-[1,2,4]triazino[5,6-b]indol-5-yl}ethan-1-one
4634-0191 Screening compound: 1-{4a-hydroxy-8-methyl-3-sulfanylidene-2H,3H,4H,4aH,5H-[1,2,4]triazino[5,6-b]indol-5-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4634-0191
1-{4a-hydroxy-8-methyl-3-sulfanylidene-2H,3H,4H,4aH,5H-[1,2,4]triazino[5,6-b]indol-5-yl}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

4634-0191

Molecular Formula

C12H12N4O2S (C12 H12 N4 O2 S)

Compound Name

1-{4a-hydroxy-8-methyl-3-sulfanylidene-2H,3H,4H,4aH,5H-[1,2,4]triazino[5,6-b]indol-5-yl}ethan-1-one

IUPAC name

1-{4a-hydroxy-8-methyl-3-sulfanylidene-2H3H4H4aH5H-[124]triazino[56-b]indol-5-yl}ethan-1-one

SMILES

CC(N(C1(N2)O)c(ccc(C)c3)c3C1=NNC2=S)=O

InChI

InChI=1S/C12H12N4O2S/c1-6-3-4-9-8(5-6)10-12(18,16(9)7(2)17)13-11(19)15-14-10/h3-5,18H,1-2H3,(H2,13,15,19)/t12-/m0/s1

InChI Key

ZDFUSYVTOLHSBM-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01819459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.229

Distribution Coefficient, logD

1.229

Water Solubility, LogSw

-2.32

Polar Surface Area

66.263

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

4634-0191 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 4634-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4634-0191?
Check Price and Availability of 4634-0191, 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 4634-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4634-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4634-0191
  • 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 4634-0191 available by request