3360-9554 Screening compound: 6-{[4-(4-methylphenyl)-3-[(propan-2-yloxy)carbonyl]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid

3360-9554 Screening compound: 6-{[4-(4-methylphenyl)-3-[(propan-2-yloxy)carbonyl]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
3360-9554 Screening compound: 6-{[4-(4-methylphenyl)-3-[(propan-2-yloxy)carbonyl]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3360-9554
6-{[4-(4-methylphenyl)-3-[(propan-2-yloxy)carbonyl]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid

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

3360-9554

Molecular Formula

C23H25NO5S (C23 H25 NO5 S)

Compound Name

6-{[4-(4-methylphenyl)-3-[(propan-2-yloxy)carbonyl]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid

IUPAC name

6-{[4-(4-methylphenyl)-3-[(propan-2-yloxy)carbonyl]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid

SMILES

CC(C)OC(c1c(NC(C(CC=CC2)C2C(O)=O)=O)scc1-c1ccc(C)cc1)=O

InChI

InChI=1S/C23H25NO5S/c1-13(2)29-23(28)19-18(15-10-8-14(3)9-11-15)12-30-21(19)24-20(25)16-6-4-5-7-17(16)22(26)27/h4-5,8-13,16-17H,6-7H2,1-3H3,(H,24,25)(H,26,27)

InChI Key

ZQUZGIJTDOLLDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.809

Distribution Coefficient, logD

2.453

Water Solubility, LogSw

-4.52

Polar Surface Area

71.885

Acid Dissociation Constant (pKa)

5.05

Base Dissociation Constant (pKb)

-8.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

3360-9554 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3360-9554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3360-9554?
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What is the minimum amount of 3360-9554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3360-9554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3360-9554
  • 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 3360-9554 available by request