8017-7349 Screening compound: 3-[(5-bromo-2-pyridyl)amino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one

8017-7349 Screening compound: 3-[(5-bromo-2-pyridyl)amino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one
8017-7349 Screening compound: 3-[(5-bromo-2-pyridyl)amino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7349
3-[(5-bromo-2-pyridyl)amino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-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

8017-7349

Molecular Formula

C13H12BrN2O3P (C13 H12 BrN2 O3 P)

Compound Name

3-[(5-bromo-2-pyridyl)amino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one

IUPAC name

3-[(5-bromopyridin-2-yl)amino]-34-dihydro-2H-153lambda5-benzodioxaphosphepin-3-one

SMILES

O=P1(COc(cccc2)c2OC1)Nc(cc1)ncc1Br

InChI

InChI=1S/C13H12BrN2O3P/c14-10-5-6-13(15-7-10)16-20(17)8-18-11-3-1-2-4-12(11)19-9-20/h1-7H,8-9H2,(H,15,16,17)

InChI Key

IJAWGDFBQNBAFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06608018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.13

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.915

Distribution Coefficient, logD

2.915

Water Solubility, LogSw

-3.06

Polar Surface Area

54.114

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

8017-7349 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-7349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7349?
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What is the minimum amount of 8017-7349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7349
  • 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 8017-7349 available by request