Y203-3854 Screening compound: 3-[({3-[(cyclopentylamino)carbonyl]-1-ethyl-1H-pyrazol-4-yl}amino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Y203-3854 Screening compound: 3-[({3-[(cyclopentylamino)carbonyl]-1-ethyl-1H-pyrazol-4-yl}amino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Y203-3854 Screening compound: 3-[({3-[(cyclopentylamino)carbonyl]-1-ethyl-1H-pyrazol-4-yl}amino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y203-3854
3-[({3-[(cyclopentylamino)carbonyl]-1-ethyl-1H-pyrazol-4-yl}amino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-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

Y203-3854

Molecular Formula

C19H26N4O5 (C19 H26 N4 O5)

Compound Name

3-[({3-[(cyclopentylamino)carbonyl]-1-ethyl-1H-pyrazol-4-yl}amino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

IUPAC name

3-{[3-(cyclopentylcarbamoyl)-1-ethyl-1H-pyrazol-4-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

SMILES

CCn1nc(C(NC2CCCC2)=O)c(NC(C(C2OC3CC2)C3C(O)=O)=O)c1

InChI

InChI=1S/C19H26N4O5/c1-2-23-9-11(16(22-23)18(25)20-10-5-3-4-6-10)21-17(24)14-12-7-8-13(28-12)15(14)19(26)27/h9-10,12-15H,2-8H2,1H3,(H,20,25)(H,21,24)(H,26,27)

InChI Key

PWENXHQPXHWCEF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.440

Distribution Coefficient, logD

-0.076

Water Solubility, LogSw

-2.31

Polar Surface Area

99.217

Acid Dissociation Constant (pKa)

4.89

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

68.42

Y203-3854 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y203-3854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y203-3854?
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What is the minimum amount of Y203-3854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y203-3854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y203-3854
  • 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 Y203-3854 available by request