G290-1100 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-4-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]butanamide

G290-1100 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-4-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]butanamide
G290-1100 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-4-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G290-1100
N~1~-(3,4-dimethoxyphenethyl)-4-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]butanamide

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

G290-1100

Molecular Formula

C26H27N3O4S (C26 H27 N3 O4 S)

Compound Name

N~1~-(3,4-dimethoxyphenethyl)-4-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]butanamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-4-{9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-10-yl}butanamide

SMILES

COc(ccc(CCNC(CCCN(c(cccc1)c1Sc1ncccc11)C1=O)=O)c1)c1OC

InChI

InChI=1S/C26H27N3O4S/c1-32-21-12-11-18(17-22(21)33-2)13-15-27-24(30)10-6-16-29-20-8-3-4-9-23(20)34-25-19(26(29)31)7-5-14-28-25/h3-5,7-9,11-12,14,17H,6,10,13,15-16H2,1-2H3,(H,27,30)

InChI Key

FNPUMTKMACFQEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14995317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.501

Distribution Coefficient, logD

2.501

Water Solubility, LogSw

-2.96

Polar Surface Area

66.005

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

G290-1100 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G290-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G290-1100?
Check Price and Availability of G290-1100, 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 G290-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G290-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G290-1100
  • 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 G290-1100 available by request