8016-8414 Screening compound: N~4~-(4-bromophenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

8016-8414 Screening compound: N~4~-(4-bromophenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
8016-8414 Screening compound: N~4~-(4-bromophenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8414
N~4~-(4-bromophenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

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

8016-8414

Molecular Formula

C15H16BrNO3 (C15 H16 BrNO3)

Compound Name

N~4~-(4-bromophenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

IUPAC name

N-(4-bromophenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

SMILES

O=C(C(C1)C2(CCCC2)OC1=O)Nc(cc1)ccc1Br

InChI

InChI=1S/C15H16BrNO3/c16-10-3-5-11(6-4-10)17-14(19)12-9-13(18)20-15(12)7-1-2-8-15/h3-6,12H,1-2,7-9H2,(H,17,19)/t12-/m1/s1

InChI Key

KXKDXIRYEKFNQS-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD05053668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.788

Distribution Coefficient, logD

2.786

Water Solubility, LogSw

-3.44

Polar Surface Area

44.007

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

8016-8414 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-8414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8414?
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What is the minimum amount of 8016-8414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8414
  • 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 8016-8414 available by request