0913-0032 Screening compound: N~2~,N~2~,N~2~,N~13~,N~13~,N~13~-hexamethyl-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diaminium

0913-0032 Screening compound: N~2~,N~2~,N~2~,N~13~,N~13~,N~13~-hexamethyl-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diaminium
0913-0032 Screening compound: N~2~,N~2~,N~2~,N~13~,N~13~,N~13~-hexamethyl-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diaminium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0913-0032
N~2~,N~2~,N~2~,N~13~,N~13~,N~13~-hexamethyl-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diaminium

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

0913-0032

Molecular Formula

C26H40N2O6 (C26 H40 N2 O6)

Compound Name

N~2~,N~2~,N~2~,N~13~,N~13~,N~13~-hexamethyl-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diaminium

IUPAC name

N11N11N11N24N24N24-hexamethyl-258151821-hexaoxatricyclo[20.4.0.0^{914}]hexacosa-1(22)9(14)10122325-hexaene-1124-bis(aminium)

SMILES

C[N+](C)(C)c(cc1)cc2c1OCCOCCOc(cc(cc1)[N+](C)(C)C)c1OCCOCCO2

InChI

InChI=1S/C26H40N2O6/c1-27(2,3)21-7-9-23-25(19-21)33-17-13-29-12-16-32-24-10-8-22(28(4,5)6)20-26(24)34-18-14-30-11-15-31-23/h7-10,19-20H,11-18H2,1-6H3/q+2

InChI Key

PWVARPYTCQVGOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993198

Chemical and Physical Properties

Saltdata

2I-

Molecular Weight

476.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.288

Distribution Coefficient, logD

1.288

Water Solubility, LogSw

-1.84

Polar Surface Area

45.094

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with 0913-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 0913-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0913-0032
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Delivery formats for 0913-0032
  • 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 0913-0032 available by request