0242-0457 Screening compound: 6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-amine

0242-0457 Screening compound: 6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-amine
0242-0457 Screening compound: 6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0457
6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-amine

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

0242-0457

Molecular Formula

C20H25NO6 (C20 H25 NO6)

Compound Name

6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-amine

IUPAC name

258151821-hexaoxatricyclo[20.4.0.0^{914}]hexacosa-1(22)9(14)10122325-hexaen-11-amine

SMILES

Nc(cc1)cc2c1OCCOCCOc(cccc1)c1OCCOCCO2

InChI

InChI=1S/C20H25NO6/c21-16-5-6-19-20(15-16)27-14-10-23-8-12-25-18-4-2-1-3-17(18)24-11-7-22-9-13-26-19/h1-6,15H,7-14,21H2

InChI Key

FFYZYAKXQMHVQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00187888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.939

Distribution Coefficient, logD

0.937

Water Solubility, LogSw

-1.40

Polar Surface Area

68.647

Acid Dissociation Constant (pKa)

21.11

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

0242-0457 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 0242-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0457?
Check Price and Availability of 0242-0457, 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 0242-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0457
  • 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 0242-0457 available by request