Y044-3743 Screening compound: 2'-butyl-N-(4-chlorobenzyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide

Y044-3743 Screening compound: 2'-butyl-N-(4-chlorobenzyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Y044-3743 Screening compound: 2'-butyl-N-(4-chlorobenzyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-3743
2'-butyl-N-(4-chlorobenzyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide

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

Y044-3743

Molecular Formula

C25H29ClN2O2 (C25 H29 ClN2 O2)

Compound Name

2'-butyl-N-(4-chlorobenzyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide

IUPAC name

2'-butyl-N-[(4-chlorophenyl)methyl]-1'-oxo-2'4'-dihydro-1'H-spiro[cyclopentane-13'-isoquinoline]-4'-carboxamide

SMILES

CCCCN(C1(CCCC1)C(C(NCc(cc1)ccc1Cl)=O)c1c2cccc1)C2=O

InChI

InChI=1S/C25H29ClN2O2/c1-2-3-16-28-24(30)21-9-5-4-8-20(21)22(25(28)14-6-7-15-25)23(29)27-17-18-10-12-19(26)13-11-18/h4-5,8-13,22H,2-3,6-7,14-17H2,1H3,(H,27,29)/t22-/m1/s1

InChI Key

IJPNORVJZWWJAT-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.011

Distribution Coefficient, logD

5.011

Water Solubility, LogSw

-4.92

Polar Surface Area

40.659

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with Y044-3743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-3743?
Check Price and Availability of Y044-3743, 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 Y044-3743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-3743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-3743
  • 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 Y044-3743 available by request