0242-0041 Screening compound: 2,14-di(tert-butyl)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine

0242-0041 Screening compound: 2,14-di(tert-butyl)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine
0242-0041 Screening compound: 2,14-di(tert-butyl)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0041
2,14-di(tert-butyl)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine

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

0242-0041

Molecular Formula

C28H40O6 (C28 H40 O6)

Compound Name

2,14-di(tert-butyl)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine

IUPAC name

1125-di-tert-butyl-258151821-hexaoxatricyclo[20.4.0.0^{914}]hexacosa-1(22)9(14)10122325-hexaene

SMILES

CC(C)(C)c(cc1)cc2c1OCCOCCOc(ccc(C(C)(C)C)c1)c1OCCOCCO2

InChI

InChI=1S/C28H40O6/c1-27(2,3)21-7-9-23-25(19-21)33-17-13-30-14-18-34-26-20-22(28(4,5)6)8-10-24(26)32-16-12-29-11-15-31-23/h7-10,19-20H,11-18H2,1-6H3

InChI Key

CVQLBTRJDFZYMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00068541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.931

Distribution Coefficient, logD

4.931

Water Solubility, LogSw

-4.75

Polar Surface Area

47.841

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

0242-0041 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0242-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0041?
Check Price and Availability of 0242-0041, 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 0242-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0041
  • 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 0242-0041 available by request