4634-0194 Screening compound: 1-{4a-hydroxy-3-sulfanylidene-2H,3H,4H,4aH,5H-[1,2,4]triazino[5,6-b]indol-5-yl}ethan-1-one

4634-0194 Screening compound: 1-{4a-hydroxy-3-sulfanylidene-2H,3H,4H,4aH,5H-[1,2,4]triazino[5,6-b]indol-5-yl}ethan-1-one
4634-0194 Screening compound: 1-{4a-hydroxy-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 4634-0194
1-{4a-hydroxy-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

4634-0194

Molecular Formula

C11H10N4O2S (C11 H10 N4 O2 S)

Compound Name

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

SMILES

CC(N(C1(N2)O)c(cccc3)c3C1=NNC2=S)=O

InChI

InChI=1S/C11H10N4O2S/c1-6(16)15-8-5-3-2-4-7(8)9-11(15,17)12-10(18)14-13-9/h2-5,17H,1H3,(H2,12,14,18)/t11-/m0/s1

InChI Key

SUPPGHRYZFAMEH-NSHDSACASA-N

MDL Number (MFCD)

MFCD01572847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.29

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

0.753

Distribution Coefficient, logD

0.753

Water Solubility, LogSw

-2.24

Polar Surface Area

66.263

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

4634-0194 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4634-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4634-0194?
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What is the minimum amount of 4634-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4634-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4634-0194
  • 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 4634-0194 available by request