3698-0006 Screening compound: N-(4-sulfamoylphenyl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}butanamide

3698-0006 Screening compound: N-(4-sulfamoylphenyl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}butanamide
3698-0006 Screening compound: N-(4-sulfamoylphenyl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3698-0006
N-(4-sulfamoylphenyl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}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

3698-0006

Molecular Formula

C19H18N6O3S2 (C19 H18 N6 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc(cc1)ccc1S(N)(=O)=O)=O)Sc1nnc(c(cccc2)c2[nH]2)c2n1

InChI

InChI=1S/C19H18N6O3S2/c1-2-15(18(26)21-11-7-9-12(10-8-11)30(20,27)28)29-19-23-17-16(24-25-19)13-5-3-4-6-14(13)22-17/h3-10,15H,2H2,1H3,(H,21,26)(H2,20,27,28)(H,22,23,25)/t15-/m0/s1

InChI Key

XBGFWXZSCFNXAA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01821585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.009

Distribution Coefficient, logD

2.008

Water Solubility, LogSw

-2.65

Polar Surface Area

115.500

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

3698-0006 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 3698-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3698-0006?
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What is the minimum amount of 3698-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3698-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3698-0006
  • 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 3698-0006 available by request