E772-0043 Screening compound: N-cyclopentyl-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide

E772-0043 Screening compound: N-cyclopentyl-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide
E772-0043 Screening compound: N-cyclopentyl-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E772-0043
N-cyclopentyl-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide

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

E772-0043

Molecular Formula

C20H21N3O2S (C20 H21 N3 O2 S)

Compound Name

N-cyclopentyl-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide

IUPAC name

N-cyclopentyl-4-({2-oxo-1H2H3H-pyrido[23-b][14]thiazin-1-yl}methyl)benzamide

SMILES

O=C(c1ccc(CN2c3cccnc3SCC2=O)cc1)NC1CCCC1

InChI

InChI=1S/C20H21N3O2S/c24-18-13-26-20-17(6-3-11-21-20)23(18)12-14-7-9-15(10-8-14)19(25)22-16-4-1-2-5-16/h3,6-11,16H,1-2,4-5,12-13H2,(H,22,25)

InChI Key

XMUSKOUJCCBAGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.875

Distribution Coefficient, logD

2.875

Water Solubility, LogSw

-3.46

Polar Surface Area

51.176

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

E772-0043 in Drug Discovery

Included in Screening Libraries

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 E772-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E772-0043?
Check Price and Availability of E772-0043, 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 E772-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E772-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E772-0043
  • 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 E772-0043 available by request