Y041-7985 Screening compound: 2-{1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl}-N-[(1-methyl-1H-pyrrol-2-yl)methyl]acetamide

Y041-7985 Screening compound: 2-{1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl}-N-[(1-methyl-1H-pyrrol-2-yl)methyl]acetamide
Y041-7985 Screening compound: 2-{1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl}-N-[(1-methyl-1H-pyrrol-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-7985
2-{1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl}-N-[(1-methyl-1H-pyrrol-2-yl)methyl]acetamide

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

Y041-7985

Molecular Formula

C18H19ClN4O3 (C18 H19 ClN4 O3)

Compound Name

2-{1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl}-N-[(1-methyl-1H-pyrrol-2-yl)methyl]acetamide

IUPAC name

2-[(4S)-1-[(2-chlorophenyl)methyl]-25-dioxoimidazolidin-4-yl]-N-[(1-methyl-1H-pyrrol-2-yl)methyl]acetamide

SMILES

Cn1c(CNC(CC(C(N2Cc(cccc3)c3Cl)=O)NC2=O)=O)ccc1

InChI

InChI=1S/C18H19ClN4O3/c1-22-8-4-6-13(22)10-20-16(24)9-15-17(25)23(18(26)21-15)11-12-5-2-3-7-14(12)19/h2-8,15H,9-11H2,1H3,(H,20,24)(H,21,26)/t15-/m0/s1

InChI Key

HDLLIRGOHJTLCM-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.938

Distribution Coefficient, logD

1.938

Water Solubility, LogSw

-2.65

Polar Surface Area

69.034

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

Y041-7985 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 Y041-7985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-7985?
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What is the minimum amount of Y041-7985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-7985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-7985
  • 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 Y041-7985 available by request