3850-0101 Screening compound: 1,3-diethyl 2,2-bis(morpholin-4-yl)propanedioate

3850-0101 Screening compound: 1,3-diethyl 2,2-bis(morpholin-4-yl)propanedioate
3850-0101 Screening compound: 1,3-diethyl 2,2-bis(morpholin-4-yl)propanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3850-0101
1,3-diethyl 2,2-bis(morpholin-4-yl)propanedioate

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

3850-0101

Molecular Formula

C15H26N2O6 (C15 H26 N2 O6)

Compound Name

1,3-diethyl 2,2-bis(morpholin-4-yl)propanedioate

IUPAC name

13-diethyl 22-bis(morpholin-4-yl)propanedioate

SMILES

CCOC(C(C(OCC)=O)(N1CCOCC1)N1CCOCC1)=O

InChI

InChI=1S/C15H26N2O6/c1-3-22-13(18)15(14(19)23-4-2,16-5-9-20-10-6-16)17-7-11-21-12-8-17/h3-12H2,1-2H3

InChI Key

JGPYRRAYFGXDJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00553564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.057

Distribution Coefficient, logD

1.057

Water Solubility, LogSw

-0.77

Polar Surface Area

62.476

Acid Dissociation Constant (pKa)

28.81

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

86.70

3850-0101 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 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 3850-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3850-0101?
Check Price and Availability of 3850-0101, 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 3850-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3850-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3850-0101
  • 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 3850-0101 available by request