0242-0408 Screening compound: 2-[4,10-bis(2-hydroxyethyl)-1-oxa-4,7,10-triazacyclododecan-7-yl]ethan-1-ol

0242-0408 Screening compound: 2-[4,10-bis(2-hydroxyethyl)-1-oxa-4,7,10-triazacyclododecan-7-yl]ethan-1-ol
0242-0408 Screening compound: 2-[4,10-bis(2-hydroxyethyl)-1-oxa-4,7,10-triazacyclododecan-7-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0408
2-[4,10-bis(2-hydroxyethyl)-1-oxa-4,7,10-triazacyclododecan-7-yl]ethan-1-ol

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

0242-0408

Molecular Formula

C14H31N3O4 (C14 H31 N3 O4)

Compound Name

2-[4,10-bis(2-hydroxyethyl)-1-oxa-4,7,10-triazacyclododecan-7-yl]ethan-1-ol

IUPAC name

2-[410-bis(2-hydroxyethyl)-1-oxa-4710-triazacyclododecan-7-yl]ethan-1-ol

SMILES

OCCN1CCN(CCO)CCOCCN(CCO)CC1

InChI

InChI=1S/C14H31N3O4/c18-10-5-15-1-3-16(6-11-19)8-13-21-14-9-17(4-2-15)7-12-20/h18-20H,1-14H2

InChI Key

TUENNYSZDXTGLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00419177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-1.632

Distribution Coefficient, logD

-1.697

Water Solubility, LogSw

0.69

Polar Surface Area

70.008

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

0242-0408 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0242-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0408?
Check Price and Availability of 0242-0408, 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 0242-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0408
  • 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 0242-0408 available by request