8015-6764 Screening compound: methyl 2-{[4-(4-nitro-1H-pyrazol-1-yl)butanoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

8015-6764 Screening compound: methyl 2-{[4-(4-nitro-1H-pyrazol-1-yl)butanoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
8015-6764 Screening compound: methyl 2-{[4-(4-nitro-1H-pyrazol-1-yl)butanoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6764
methyl 2-{[4-(4-nitro-1H-pyrazol-1-yl)butanoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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

8015-6764

Molecular Formula

C18H22N4O5S (C18 H22 N4 O5 S)

Compound Name

methyl 2-{[4-(4-nitro-1H-pyrazol-1-yl)butanoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-[4-(4-nitro-1H-pyrazol-1-yl)butanamido]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

COC(c1c(NC(CCCn2ncc([N+]([O-])=O)c2)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C18H22N4O5S/c1-27-18(24)16-13-6-3-2-4-7-14(13)28-17(16)20-15(23)8-5-9-21-11-12(10-19-21)22(25)26/h10-11H,2-9H2,1H3,(H,20,23)

InChI Key

AQAQLMVHWVAOLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.294

Distribution Coefficient, logD

-0.503

Water Solubility, LogSw

-2.64

Polar Surface Area

92.473

Acid Dissociation Constant (pKa)

4.60

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8015-6764 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 8015-6764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6764?
Check Price and Availability of 8015-6764, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-6764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6764
  • 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 8015-6764 available by request