6228-2386 Screening compound: methyl 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

6228-2386 Screening compound: methyl 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
6228-2386 Screening compound: methyl 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-2386
methyl 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4H,5H,6H-cyclopenta[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

6228-2386

Molecular Formula

C22H22ClN3O3S (C22 H22 ClN3 O3 S)

Compound Name

methyl 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-{3-[(4-chloro-35-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

Cc(n(Cc1cc(C(Nc2c(C(OC)=O)c(CCC3)c3s2)=O)ccc1)nc1C)c1Cl

InChI

InChI=1S/C22H22ClN3O3S/c1-12-19(23)13(2)26(25-12)11-14-6-4-7-15(10-14)20(27)24-21-18(22(28)29-3)16-8-5-9-17(16)30-21/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,24,27)

InChI Key

XKKCZTGQSHDFKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02374133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.945

Distribution Coefficient, logD

-0.248

Water Solubility, LogSw

-4.94

Polar Surface Area

58.866

Acid Dissociation Constant (pKa)

3.21

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

6228-2386 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6228-2386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-2386?
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What is the minimum amount of 6228-2386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-2386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-2386
  • 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 6228-2386 available by request