E862-0528 Screening compound: N-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]-2,3-DIHYDRO-1H-PYRIDO[2,3-B][1,4]THIAZINE-1-CARBOXAMIDE

E862-0528 Screening compound: N-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]-2,3-DIHYDRO-1H-PYRIDO[2,3-B][1,4]THIAZINE-1-CARBOXAMIDE
E862-0528 Screening compound: N-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]-2,3-DIHYDRO-1H-PYRIDO[2,3-B][1,4]THIAZINE-1-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E862-0528
N-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]-2,3-DIHYDRO-1H-PYRIDO[2,3-B][1,4]THIAZINE-1-CARBOXAMIDE

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

E862-0528

Molecular Formula

C14H18N4O2S (C14 H18 N4 O2 S)

Compound Name

N-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]-2,3-DIHYDRO-1H-PYRIDO[2,3-B][1,4]THIAZINE-1-CARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(CNC(N1c2cccnc2SCC1)=O)N1CCCC1

InChI

InChI=1S/C14H18N4O2S/c19-12(17-6-1-2-7-17)10-16-14(20)18-8-9-21-13-11(18)4-3-5-15-13/h3-5H,1-2,6-10H2,(H,16,20)

InChI Key

CKTPWHWIXJCANP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.858

Distribution Coefficient, logD

0.858

Water Solubility, LogSw

-2.18

Polar Surface Area

53.505

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E862-0528 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E862-0528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E862-0528?
Check Price and Availability of E862-0528, 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 E862-0528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E862-0528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E862-0528
  • 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 E862-0528 available by request