2683-0122 Screening compound: 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)butanamide

2683-0122 Screening compound: 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)butanamide
2683-0122 Screening compound: 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2683-0122
2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)butanamide

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

2683-0122

Molecular Formula

C21H22N6O3S2 (C21 H22 N6 O3 S2)

Compound Name

2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)butanamide

IUPAC name

2-({5-ethyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)butanamide

SMILES

CCC(C(Nc(cc1)ccc1S(N)(=O)=O)=O)Sc1nnc(c(cccc2)c2n2CC)c2n1

InChI

InChI=1S/C21H22N6O3S2/c1-3-17(20(28)23-13-9-11-14(12-10-13)32(22,29)30)31-21-24-19-18(25-26-21)15-7-5-6-8-16(15)27(19)4-2/h5-12,17H,3-4H2,1-2H3,(H,23,28)(H2,22,29,30)/t17-/m0/s1

InChI Key

PNFMPGNWILEJPJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01305965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.022

Distribution Coefficient, logD

3.020

Water Solubility, LogSw

-3.49

Polar Surface Area

106.669

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

2683-0122 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2683-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2683-0122?
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What is the minimum amount of 2683-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2683-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2683-0122
  • 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 2683-0122 available by request