8008-3318 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butanamide

8008-3318 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butanamide
8008-3318 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3318
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)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

8008-3318

Molecular Formula

C23H22N6OS2 (C23 H22 N6 OS2)

Compound Name

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butanamide

IUPAC name

N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-2-({5-methyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)butanamide

SMILES

CCC(C(Nc(sc1c2CCCC1)c2C#N)=O)Sc1nnc(c(cccc2)c2n2C)c2n1

InChI

InChI=1S/C23H22N6OS2/c1-3-17(21(30)26-22-15(12-24)13-8-5-7-11-18(13)31-22)32-23-25-20-19(27-28-23)14-9-4-6-10-16(14)29(20)2/h4,6,9-10,17H,3,5,7-8,11H2,1-2H3,(H,26,30)/t17-/m0/s1

InChI Key

COFWOWQNTFKPFW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01305974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.714

Distribution Coefficient, logD

3.234

Water Solubility, LogSw

-4.73

Polar Surface Area

73.922

Acid Dissociation Constant (pKa)

5.93

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

8008-3318 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8008-3318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3318?
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What is the minimum amount of 8008-3318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3318
  • 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 8008-3318 available by request