V016-6558 Screening compound: 2-bromo-N~1~-[2-(3-isoxazolylamino)-2-oxoethyl]-N~1~-pentylbenzamide

V016-6558 Screening compound: 2-bromo-N~1~-[2-(3-isoxazolylamino)-2-oxoethyl]-N~1~-pentylbenzamide
V016-6558 Screening compound: 2-bromo-N~1~-[2-(3-isoxazolylamino)-2-oxoethyl]-N~1~-pentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6558
2-bromo-N~1~-[2-(3-isoxazolylamino)-2-oxoethyl]-N~1~-pentylbenzamide

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

V016-6558

Molecular Formula

C17H20BrN3O3 (C17 H20 BrN3 O3)

Compound Name

2-bromo-N~1~-[2-(3-isoxazolylamino)-2-oxoethyl]-N~1~-pentylbenzamide

IUPAC name

2-[1-(2-bromophenyl)-N-pentylformamido]-N-(12-oxazol-3-yl)acetamide

SMILES

CCCCCN(CC(Nc1nocc1)=O)C(c(cccc1)c1Br)=O

InChI

InChI=1S/C17H20BrN3O3/c1-2-3-6-10-21(12-16(22)19-15-9-11-24-20-15)17(23)13-7-4-5-8-14(13)18/h4-5,7-9,11H,2-3,6,10,12H2,1H3,(H,19,20,22)

InChI Key

OYAPBYMSCJLBSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14243915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.754

Distribution Coefficient, logD

3.753

Water Solubility, LogSw

-3.83

Polar Surface Area

62.286

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

V016-6558 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V016-6558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6558?
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What is the minimum amount of V016-6558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6558
  • 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 V016-6558 available by request