0176-0023 Screening compound: 12-tert-butyl-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine

0176-0023 Screening compound: 12-tert-butyl-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine
0176-0023 Screening compound: 12-tert-butyl-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0176-0023
12-tert-butyl-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine

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

0176-0023

Molecular Formula

C16H24O4 (C16 H24 O4)

Compound Name

12-tert-butyl-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine

IUPAC name

12-tert-butyl-235689-hexahydro-14710-benzotetraoxacyclododecine

SMILES

CC(C)(C)c(cc1)cc2c1OCCOCCOCCO2

InChI

InChI=1S/C16H24O4/c1-16(2,3)13-4-5-14-15(12-13)20-11-9-18-7-6-17-8-10-19-14/h4-5,12H,6-11H2,1-3H3

InChI Key

BFPAFZVCNDTCBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00429257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.409

Distribution Coefficient, logD

2.409

Water Solubility, LogSw

-2.43

Polar Surface Area

32.210

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

0176-0023 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 0176-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0176-0023?
Check Price and Availability of 0176-0023, 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 0176-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0176-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0176-0023
  • 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 0176-0023 available by request