8602-0291 Screening compound: ethyl 3,3,3-trifluoro-2-[(morpholine-4-carbonyl)amino]-2-pentanamidopropanoate

8602-0291 Screening compound: ethyl 3,3,3-trifluoro-2-[(morpholine-4-carbonyl)amino]-2-pentanamidopropanoate
8602-0291 Screening compound: ethyl 3,3,3-trifluoro-2-[(morpholine-4-carbonyl)amino]-2-pentanamidopropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0291
ethyl 3,3,3-trifluoro-2-[(morpholine-4-carbonyl)amino]-2-pentanamidopropanoate

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

8602-0291

Molecular Formula

C15H24F3N3O5 (C15 H24 F3 N3 O5)

Compound Name

ethyl 3,3,3-trifluoro-2-[(morpholine-4-carbonyl)amino]-2-pentanamidopropanoate

IUPAC name

ethyl 333-trifluoro-2-[(morpholine-4-carbonyl)amino]-2-pentanamidopropanoate

SMILES

CCCCC(NC(C(F)(F)F)(C(OCC)=O)NC(N1CCOCC1)=O)=O

InChI

InChI=1S/C15H24F3N3O5/c1-3-5-6-11(22)19-14(15(16,17)18,12(23)26-4-2)20-13(24)21-7-9-25-10-8-21/h3-10H2,1-2H3,(H,19,22)(H,20,24)/t14-/m1/s1

InChI Key

BOCVWAIVWCAKGE-CQSZACIVSA-N

MDL Number (MFCD)

MFCD06177255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.556

Distribution Coefficient, logD

0.826

Water Solubility, LogSw

-1.82

Polar Surface Area

78.804

Acid Dissociation Constant (pKa)

6.76

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.00

8602-0291 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8602-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0291?
Check Price and Availability of 8602-0291, 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 8602-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0291
  • 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 8602-0291 available by request