Y041-7846 Screening compound: methyl 2-[1-(2-{1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl}acetyl)piperidin-4-yl]acetate

Y041-7846 Screening compound: methyl 2-[1-(2-{1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl}acetyl)piperidin-4-yl]acetate
Y041-7846 Screening compound: methyl 2-[1-(2-{1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl}acetyl)piperidin-4-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-7846
methyl 2-[1-(2-{1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl}acetyl)piperidin-4-yl]acetate

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

Y041-7846

Molecular Formula

C20H24FN3O5 (C20 H24 FN3 O5)

Compound Name

methyl 2-[1-(2-{1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl}acetyl)piperidin-4-yl]acetate

IUPAC name

methyl 2-(1-{2-[(4S)-1-[(3-fluorophenyl)methyl]-25-dioxoimidazolidin-4-yl]acetyl}piperidin-4-yl)acetate

SMILES

COC(CC(CC1)CCN1C(CC(C(N1Cc2cccc(F)c2)=O)NC1=O)=O)=O

InChI

InChI=1S/C20H24FN3O5/c1-29-18(26)10-13-5-7-23(8-6-13)17(25)11-16-19(27)24(20(28)22-16)12-14-3-2-4-15(21)9-14/h2-4,9,13,16H,5-8,10-12H2,1H3,(H,22,28)/t16-/m1/s1

InChI Key

OMFHKVNCSOTWNC-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.357

Distribution Coefficient, logD

1.357

Water Solubility, LogSw

-2.00

Polar Surface Area

78.636

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y041-7846 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 Y041-7846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-7846?
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What is the minimum amount of Y041-7846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-7846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-7846
  • 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 Y041-7846 available by request