8005-9360 Screening compound: 3-{hydroxy[(2-oxoazepan-1-yl)methyl]phosphoryl}propanoic acid

8005-9360 Screening compound: 3-{hydroxy[(2-oxoazepan-1-yl)methyl]phosphoryl}propanoic acid
8005-9360 Screening compound: 3-{hydroxy[(2-oxoazepan-1-yl)methyl]phosphoryl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9360
3-{hydroxy[(2-oxoazepan-1-yl)methyl]phosphoryl}propanoic acid

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

8005-9360

Molecular Formula

C10H18NO5P (C10 H18 NO5 P)

Compound Name

3-{hydroxy[(2-oxoazepan-1-yl)methyl]phosphoryl}propanoic acid

IUPAC name

3-{hydroxy[(2-oxoazepan-1-yl)methyl]phosphoryl}propanoic acid

SMILES

OC(CCP(CN(CCCCC1)C1=O)(O)=O)=O

InChI

InChI=1S/C10H18NO5P/c12-9-4-2-1-3-6-11(9)8-17(15,16)7-5-10(13)14/h1-8H2,(H,13,14)(H,15,16)

InChI Key

DPHMGUXAEDVWCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-1.113

Distribution Coefficient, logD

-6.248

Water Solubility, LogSw

-0.16

Polar Surface Area

74.575

Acid Dissociation Constant (pKa)

2.27

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.00

8005-9360 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8005-9360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9360?
Check Price and Availability of 8005-9360, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8005-9360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9360
  • 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 8005-9360 available by request