3698-0020 Screening compound: 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide

3698-0020 Screening compound: 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
3698-0020 Screening compound: 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3698-0020
2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide

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

3698-0020

Molecular Formula

C20H15N7O3S2 (C20 H15 N7 O3 S2)

Compound Name

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

IUPAC name

2-({5-ethyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)-N-(6-nitro-13-benzothiazol-2-yl)acetamide

SMILES

CCn1c2nc(SCC(Nc3nc(ccc([N+]([O-])=O)c4)c4s3)=O)nnc2c2c1cccc2

InChI

InChI=1S/C20H15N7O3S2/c1-2-26-14-6-4-3-5-12(14)17-18(26)23-20(25-24-17)31-10-16(28)22-19-21-13-8-7-11(27(29)30)9-15(13)32-19/h3-9H,2,10H2,1H3,(H,21,22,28)

InChI Key

YKNWAKXGJGHAKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.374

Distribution Coefficient, logD

4.374

Water Solubility, LogSw

-4.33

Polar Surface Area

98.995

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 3698-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3698-0020?
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What is the minimum amount of 3698-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3698-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3698-0020
  • 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 3698-0020 available by request