D222-0030 Screening compound: 1-cyclohexyl-4-{4-[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carbonyl}pyrrolidin-2-one

D222-0030 Screening compound: 1-cyclohexyl-4-{4-[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carbonyl}pyrrolidin-2-one
D222-0030 Screening compound: 1-cyclohexyl-4-{4-[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carbonyl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D222-0030
1-cyclohexyl-4-{4-[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carbonyl}pyrrolidin-2-one

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

D222-0030

Molecular Formula

C27H35N3O5 (C27 H35 N3 O5)

Compound Name

1-cyclohexyl-4-{4-[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carbonyl}pyrrolidin-2-one

IUPAC name

1-cyclohexyl-4-{4-[(6-ethoxy-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carbonyl}pyrrolidin-2-one

SMILES

CCOc(cc1)cc(C(CN(CC2)CCN2C(C(C2)CN(C3CCCCC3)C2=O)=O)=C2)c1OC2=O

InChI

InChI=1S/C27H35N3O5/c1-2-34-22-8-9-24-23(16-22)19(15-26(32)35-24)17-28-10-12-29(13-11-28)27(33)20-14-25(31)30(18-20)21-6-4-3-5-7-21/h8-9,15-16,20-21H,2-7,10-14,17-18H2,1H3/t20-/m0/s1

InChI Key

ABNTUNNXERUKQT-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14814921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.452

Distribution Coefficient, logD

2.450

Water Solubility, LogSw

-3.09

Polar Surface Area

64.541

Acid Dissociation Constant (pKa)

16.22

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.30

D222-0030 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D222-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D222-0030?
Check Price and Availability of D222-0030, 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 D222-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D222-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D222-0030
  • 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 D222-0030 available by request