G290-0049 Screening compound: N~1~-(2-ethylphenyl)-2-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]acetamide

G290-0049 Screening compound: N~1~-(2-ethylphenyl)-2-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]acetamide
G290-0049 Screening compound: N~1~-(2-ethylphenyl)-2-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G290-0049
N~1~-(2-ethylphenyl)-2-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]acetamide

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

G290-0049

Molecular Formula

C22H19N3O2S (C22 H19 N3 O2 S)

Compound Name

N~1~-(2-ethylphenyl)-2-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]acetamide

IUPAC name

N-(2-ethylphenyl)-2-{9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-10-yl}acetamide

SMILES

CCc(cccc1)c1NC(CN(c(cccc1)c1Sc1ncccc11)C1=O)=O

InChI

InChI=1S/C22H19N3O2S/c1-2-15-8-3-4-10-17(15)24-20(26)14-25-18-11-5-6-12-19(18)28-21-16(22(25)27)9-7-13-23-21/h3-13H,2,14H2,1H3,(H,24,26)

InChI Key

BJGZXQOIUBRTTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14995104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

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

4.185

Distribution Coefficient, logD

4.185

Water Solubility, LogSw

-4.15

Polar Surface Area

48.905

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G290-0049 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Human Receptors Annotated Library (5376 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with G290-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G290-0049?
Check Price and Availability of G290-0049, 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 G290-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G290-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G290-0049
  • 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 G290-0049 available by request