Y042-4929 Screening compound: 2-cyclooctyl-N-[2-(1H-imidazol-4-yl)ethyl]-1,3-dioxo-5-isoindolinecarboxamide

Y042-4929 Screening compound: 2-cyclooctyl-N-[2-(1H-imidazol-4-yl)ethyl]-1,3-dioxo-5-isoindolinecarboxamide
Y042-4929 Screening compound: 2-cyclooctyl-N-[2-(1H-imidazol-4-yl)ethyl]-1,3-dioxo-5-isoindolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-4929
2-cyclooctyl-N-[2-(1H-imidazol-4-yl)ethyl]-1,3-dioxo-5-isoindolinecarboxamide

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

Y042-4929

Molecular Formula

C22H26N4O3 (C22 H26 N4 O3)

Compound Name

2-cyclooctyl-N-[2-(1H-imidazol-4-yl)ethyl]-1,3-dioxo-5-isoindolinecarboxamide

IUPAC name

2-cyclooctyl-N-[2-(1H-imidazol-4-yl)ethyl]-13-dioxo-23-dihydro-1H-isoindole-5-carboxamide

SMILES

O=C(c(cc1)cc(C(N2C3CCCCCCC3)=O)c1C2=O)NCCc1c[nH]cn1

InChI

InChI=1S/C22H26N4O3/c27-20(24-11-10-16-13-23-14-25-16)15-8-9-18-19(12-15)22(29)26(21(18)28)17-6-4-2-1-3-5-7-17/h8-9,12-14,17H,1-7,10-11H2,(H,23,25)(H,24,27)

InChI Key

KXILUOXUCMXRSN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.427

Distribution Coefficient, logD

3.423

Water Solubility, LogSw

-3.76

Polar Surface Area

75.092

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

Y042-4929 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-4929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-4929?
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What is the minimum amount of Y042-4929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-4929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-4929
  • 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 Y042-4929 available by request