6264-0459 Screening compound: {2-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}dimethyl{[(2-methylprop-2-enoyl)oxy]methyl}azanium

6264-0459 Screening compound: {2-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}dimethyl{[(2-methylprop-2-enoyl)oxy]methyl}azanium
6264-0459 Screening compound: {2-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}dimethyl{[(2-methylprop-2-enoyl)oxy]methyl}azanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 6264-0459
{2-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}dimethyl{[(2-methylprop-2-enoyl)oxy]methyl}azanium

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

6264-0459

Molecular Formula

C22H32NO5 (C22 H32 NO5)

Compound Name

{2-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}dimethyl{[(2-methylprop-2-enoyl)oxy]methyl}azanium

IUPAC name

{2-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}dimethyl{[(2-methylprop-2-enoyl)oxy]methyl}azanium

SMILES

CC(C(OC[N+](C)(C)CCOC(C(C1CCCC1)(c1ccccc1)O)=O)=O)=C

InChI

InChI=1S/C22H32NO5/c1-17(2)20(24)28-16-23(3,4)14-15-27-21(25)22(26,19-12-8-9-13-19)18-10-6-5-7-11-18/h5-7,10-11,19,26H,1,8-9,12-16H2,2-4H3/q+1/t22-/m0/s1

InChI Key

OYTNSLHNPSBHKM-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00636322

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

390.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.622

Distribution Coefficient, logD

3.622

Water Solubility, LogSw

-3.53

Polar Surface Area

58.581

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

6264-0459 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6264-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6264-0459?
Check Price and Availability of 6264-0459, 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 6264-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6264-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6264-0459
  • 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 6264-0459 available by request