1051-0251 Screening compound: ethyl 2,4-dimethyl-5-oxo-5-(1,4,7-trioxa-10-azacyclododecan-10-yl)pentanoate

1051-0251 Screening compound: ethyl 2,4-dimethyl-5-oxo-5-(1,4,7-trioxa-10-azacyclododecan-10-yl)pentanoate
1051-0251 Screening compound: ethyl 2,4-dimethyl-5-oxo-5-(1,4,7-trioxa-10-azacyclododecan-10-yl)pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1051-0251
ethyl 2,4-dimethyl-5-oxo-5-(1,4,7-trioxa-10-azacyclododecan-10-yl)pentanoate

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

1051-0251

Molecular Formula

C17H31NO6 (C17 H31 NO6)

Compound Name

ethyl 2,4-dimethyl-5-oxo-5-(1,4,7-trioxa-10-azacyclododecan-10-yl)pentanoate

IUPAC name

ethyl 24-dimethyl-5-oxo-5-(147-trioxa-10-azacyclododecan-10-yl)pentanoate

SMILES

CCOC(C(C)CC(C)C(N1CCOCCOCCOCC1)=O)=O

InChI

InChI=1S/C17H31NO6/c1-4-24-17(20)15(3)13-14(2)16(19)18-5-7-21-9-11-23-12-10-22-8-6-18/h14-15H,4-13H2,1-3H3

InChI Key

AHKCHWVDJHFGML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00384927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.807

Distribution Coefficient, logD

0.807

Water Solubility, LogSw

-0.57

Polar Surface Area

61.969

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

88.20

1051-0251 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 1051-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1051-0251?
Check Price and Availability of 1051-0251, 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 1051-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1051-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1051-0251
  • 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 1051-0251 available by request