E559-0836 Screening compound: ethyl 1-({2,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}sulfonyl)piperidine-3-carboxylate

E559-0836 Screening compound: ethyl 1-({2,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}sulfonyl)piperidine-3-carboxylate
E559-0836 Screening compound: ethyl 1-({2,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}sulfonyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E559-0836
ethyl 1-({2,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}sulfonyl)piperidine-3-carboxylate

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

E559-0836

Molecular Formula

C16H21N3O5S2 (C16 H21 N3 O5 S2)

Compound Name

ethyl 1-({2,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}sulfonyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-({27-dimethyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidin-6-yl}sulfonyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1S(C1=C(C)N=C2SC(C)=CN2C1=O)(=O)=O)=O

InChI

InChI=1S/C16H21N3O5S2/c1-4-24-15(21)12-6-5-7-18(9-12)26(22,23)13-11(3)17-16-19(14(13)20)8-10(2)25-16/h8,12H,4-7,9H2,1-3H3/t12-/m0/s1

InChI Key

OXVZAZQIMGTUFG-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14898739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.800

Distribution Coefficient, logD

0.800

Water Solubility, LogSw

-1.46

Polar Surface Area

78.022

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

E559-0836 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E559-0836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E559-0836?
Check Price and Availability of E559-0836, 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 E559-0836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E559-0836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E559-0836
  • 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 E559-0836 available by request