8017-5811 Screening compound: 1-[2-(4-bromophenoxy)acetyl]tetrahydro-2H-imidazol-2-one

8017-5811 Screening compound: 1-[2-(4-bromophenoxy)acetyl]tetrahydro-2H-imidazol-2-one
8017-5811 Screening compound: 1-[2-(4-bromophenoxy)acetyl]tetrahydro-2H-imidazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5811
1-[2-(4-bromophenoxy)acetyl]tetrahydro-2H-imidazol-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

8017-5811

Molecular Formula

C11H11BrN2O3 (C11 H11 BrN2 O3)

Compound Name

1-[2-(4-bromophenoxy)acetyl]tetrahydro-2H-imidazol-2-one

IUPAC name

1-[2-(4-bromophenoxy)acetyl]imidazolidin-2-one

SMILES

O=C(COc(cc1)ccc1Br)N(CCN1)C1=O

InChI

InChI=1S/C11H11BrN2O3/c12-8-1-3-9(4-2-8)17-7-10(15)14-6-5-13-11(14)16/h1-4H,5-7H2,(H,13,16)

InChI Key

VWVQBACYOZNMCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06616681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.12

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.538

Distribution Coefficient, logD

1.538

Water Solubility, LogSw

-1.92

Polar Surface Area

48.423

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

8017-5811 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-5811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5811?
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What is the minimum amount of 8017-5811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5811
  • 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 8017-5811 available by request