G290-0889 Screening compound: N~1~-(6-acetyl-1,3-benzodioxol-5-yl)-3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]propanamide

G290-0889 Screening compound: N~1~-(6-acetyl-1,3-benzodioxol-5-yl)-3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]propanamide
G290-0889 Screening compound: N~1~-(6-acetyl-1,3-benzodioxol-5-yl)-3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G290-0889
N~1~-(6-acetyl-1,3-benzodioxol-5-yl)-3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]propanamide

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

G290-0889

Molecular Formula

C24H19N3O5S (C24 H19 N3 O5 S)

Compound Name

N~1~-(6-acetyl-1,3-benzodioxol-5-yl)-3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]propanamide

IUPAC name

n/a

SMILES

CC(c(cc1OCOc1c1)c1NC(CCN(c(cccc1)c1Sc1ncccc11)C1=O)=O)=O

InChI

InChI=1S/C24H19N3O5S/c1-14(28)16-11-19-20(32-13-31-19)12-17(16)26-22(29)8-10-27-18-6-2-3-7-21(18)33-23-15(24(27)30)5-4-9-25-23/h2-7,9,11-12H,8,10,13H2,1H3,(H,26,29)

InChI Key

CRJWZVMERKOLDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14995254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.188

Distribution Coefficient, logD

2.911

Water Solubility, LogSw

-3.58

Polar Surface Area

79.825

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G290-0889 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G290-0889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G290-0889?
Check Price and Availability of G290-0889, 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 G290-0889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G290-0889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G290-0889
  • 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 G290-0889 available by request