0523-0019 Screening compound: 1-({3,16,17-tris[(2-oxo-1-pyrrolidinyl)methyl]-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin-2-yl}methyl)-2-pyrrolidinone

0523-0019 Screening compound: 1-({3,16,17-tris[(2-oxo-1-pyrrolidinyl)methyl]-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin-2-yl}methyl)-2-pyrrolidinone
0523-0019 Screening compound: 1-({3,16,17-tris[(2-oxo-1-pyrrolidinyl)methyl]-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin-2-yl}methyl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 0523-0019
1-({3,16,17-tris[(2-oxo-1-pyrrolidinyl)methyl]-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin-2-yl}methyl)-2-pyrrolidinone

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

0523-0019

Molecular Formula

C44H60N4O12 (C44 H60 N4 O12)

Compound Name

1-({3,16,17-tris[(2-oxo-1-pyrrolidinyl)methyl]-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin-2-yl}methyl)-2-pyrrolidinone

IUPAC name

1-({153031-tris[(2-oxopyrrolidin-1-yl)methyl]-2581118212427-octaoxatricyclo[26.4.0.0^{1217}]dotriaconta-1(28)12(17)13152931-hexaen-14-yl}methyl)pyrrolidin-2-one

SMILES

O=C1N(Cc(c(CN(CCC2)C2=O)c2)cc3c2OCCOCCOCCOc2cc(CN(CCC4)C4=O)c(CN(CCC4)C4=O)cc2OCCOCCOCCO3)CCC1

InChI

InChI=1S/C44H60N4O12/c49-41-5-1-9-45(41)29-33-25-37-38(26-34(33)30-46-10-2-6-42(46)50)58-22-18-54-15-16-56-20-24-60-40-28-36(32-48-12-4-8-44(48)52)35(31-47-11-3-7-43(47)51)27-39(40)59-23-19-55-14-13-53-17-21-57-37/h25-28H,1-24,29-32H2

InChI Key

RQNJYUKWBAKHFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00195491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

836.98

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

-2.124

Distribution Coefficient, logD

-2.124

Water Solubility, LogSw

-0.52

Polar Surface Area

132.707

Acid Dissociation Constant (pKa)

16.30

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

0523-0019 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0523-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0523-0019?
Check Price and Availability of 0523-0019, 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 0523-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0523-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0523-0019
  • 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 0523-0019 available by request