Y044-3759 Screening compound: 2'-cyclohexyl-N-(3-fluorobenzyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide

Y044-3759 Screening compound: 2'-cyclohexyl-N-(3-fluorobenzyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Y044-3759 Screening compound: 2'-cyclohexyl-N-(3-fluorobenzyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-3759
2'-cyclohexyl-N-(3-fluorobenzyl)-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

Y044-3759

Molecular Formula

C27H31FN2O2 (C27 H31 FN2 O2)

Compound Name

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

IUPAC name

2'-cyclohexyl-N-[(3-fluorophenyl)methyl]-1'-oxo-2'4'-dihydro-1'H-spiro[cyclopentane-13'-isoquinoline]-4'-carboxamide

SMILES

O=C(C(C1(CCCC1)N1C2CCCCC2)c(cccc2)c2C1=O)NCc1cccc(F)c1

InChI

InChI=1S/C27H31FN2O2/c28-20-10-8-9-19(17-20)18-29-25(31)24-22-13-4-5-14-23(22)26(32)30(21-11-2-1-3-12-21)27(24)15-6-7-16-27/h4-5,8-10,13-14,17,21,24H,1-3,6-7,11-12,15-16,18H2,(H,29,31)/t24-/m1/s1

InChI Key

MCUWFXYWYMWXJF-XMMPIXPASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.962

Distribution Coefficient, logD

4.962

Water Solubility, LogSw

-4.79

Polar Surface Area

39.631

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.15

References: we are preparing a list of scientific research reports with Y044-3759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-3759?
Check Price and Availability of Y044-3759, 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 Y044-3759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-3759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-3759
  • 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 Y044-3759 available by request