G290-0881 Screening compound: 3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]-N~1~-(2-thienylmethyl)propanamide

G290-0881 Screening compound: 3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]-N~1~-(2-thienylmethyl)propanamide
G290-0881 Screening compound: 3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]-N~1~-(2-thienylmethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G290-0881
3-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]-N~1~-(2-thienylmethyl)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

G290-0881

Molecular Formula

C20H17N3O2S2 (C20 H17 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCN(c(cccc1)c1Sc1ncccc11)C1=O)NCc1cccs1

InChI

InChI=1S/C20H17N3O2S2/c24-18(22-13-14-5-4-12-26-14)9-11-23-16-7-1-2-8-17(16)27-19-15(20(23)25)6-3-10-21-19/h1-8,10,12H,9,11,13H2,(H,22,24)

InChI Key

LCRKUZVDBOSQAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14995250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.438

Distribution Coefficient, logD

3.438

Water Solubility, LogSw

-3.86

Polar Surface Area

51.921

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G290-0881 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G290-0881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G290-0881?
Check Price and Availability of G290-0881, 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 G290-0881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G290-0881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G290-0881
  • 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 G290-0881 available by request