Y041-7722 Screening compound: N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-3-{1-[(furan-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl}propanamide

Y041-7722 Screening compound: N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-3-{1-[(furan-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl}propanamide
Y041-7722 Screening compound: N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-3-{1-[(furan-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-7722
N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-3-{1-[(furan-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl}propanamide

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

Y041-7722

Molecular Formula

C19H23N3O4 (C19 H23 N3 O4)

Compound Name

N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-3-{1-[(furan-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl}propanamide

IUPAC name

N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-3-[(4S)-1-[(furan-2-yl)methyl]-25-dioxoimidazolidin-4-yl]propanamide

SMILES

O=C(CCC(C(N1Cc2ccco2)=O)NC1=O)NCC(C1)C2C=CC1C2

InChI

InChI=1S/C19H23N3O4/c23-17(20-10-14-9-12-3-4-13(14)8-12)6-5-16-18(24)22(19(25)21-16)11-15-2-1-7-26-15/h1-4,7,12-14,16H,5-6,8-11H2,(H,20,23)(H,21,25)/t12?,13?,14?,16-/m1/s1

InChI Key

MJUZBYJAUJXGTD-RWJFHBPKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.586

Distribution Coefficient, logD

1.586

Water Solubility, LogSw

-2.13

Polar Surface Area

74.729

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

52.63

Y041-7722 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y041-7722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-7722?
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What is the minimum amount of Y041-7722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-7722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-7722
  • 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 Y041-7722 available by request