0523-0015 Screening compound: 1-({3,13,14-tris[(2-oxo-1-pyrrolidinyl)methyl]-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl}methyl)-2-pyrrolidinone

0523-0015 Screening compound: 1-({3,13,14-tris[(2-oxo-1-pyrrolidinyl)methyl]-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl}methyl)-2-pyrrolidinone
0523-0015 Screening compound: 1-({3,13,14-tris[(2-oxo-1-pyrrolidinyl)methyl]-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl}methyl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 0523-0015
1-({3,13,14-tris[(2-oxo-1-pyrrolidinyl)methyl]-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-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

0523-0015

Molecular Formula

C40H52N4O10 (C40 H52 N4 O10)

Compound Name

1-({3,13,14-tris[(2-oxo-1-pyrrolidinyl)methyl]-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl}methyl)-2-pyrrolidinone

IUPAC name

1-({122425-tris[(2-oxopyrrolidin-1-yl)methyl]-258151821-hexaoxatricyclo[20.4.0.0^{914}]hexacosa-1(22)9(14)10122325-hexaen-11-yl}methyl)pyrrolidin-2-one

SMILES

O=C1N(Cc(c(CN(CCC2)C2=O)c2)cc3c2OCCOCCOc2cc(CN(CCC4)C4=O)c(CN(CCC4)C4=O)cc2OCCOCCO3)CCC1

InChI

InChI=1S/C40H52N4O10/c45-37-5-1-9-41(37)25-29-21-33-34(22-30(29)26-42-10-2-6-38(42)46)52-18-14-50-16-20-54-36-24-32(28-44-12-4-8-40(44)48)31(27-43-11-3-7-39(43)47)23-35(36)53-19-15-49-13-17-51-33/h21-24H,1-20,25-28H2

InChI Key

IBUCDZMFMLYCTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00196209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

748.87

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

-1.774

Distribution Coefficient, logD

-1.774

Water Solubility, LogSw

-0.52

Polar Surface Area

116.890

Acid Dissociation Constant (pKa)

16.30

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with 0523-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0523-0015?
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What is the minimum amount of 0523-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0523-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0523-0015
  • 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 0523-0015 available by request