8016-5290 Screening compound: methyl 2-[2-(3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

8016-5290 Screening compound: methyl 2-[2-(3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
8016-5290 Screening compound: methyl 2-[2-(3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5290
methyl 2-[2-(3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

8016-5290

Molecular Formula

C15H16N4O5S (C15 H16 N4 O5 S)

Compound Name

methyl 2-[2-(3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-[2-(3-nitro-1H-pyrazol-1-yl)acetamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

COC(c1c(NC(Cn(cc2)nc2[N+]([O-])=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C15H16N4O5S/c1-24-15(21)13-9-4-2-3-5-10(9)25-14(13)16-12(20)8-18-7-6-11(17-18)19(22)23/h6-7H,2-5,8H2,1H3,(H,16,20)

InChI Key

FVIWAWXOCLFGQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.057

Distribution Coefficient, logD

-0.114

Water Solubility, LogSw

-2.78

Polar Surface Area

91.510

Acid Dissociation Constant (pKa)

5.23

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8016-5290 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-5290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5290?
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What is the minimum amount of 8016-5290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5290
  • 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 8016-5290 available by request