G290-1171 Screening compound: N-[2-(1-cyclohexenyl)ethyl]-4-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]butanamide

G290-1171 Screening compound: N-[2-(1-cyclohexenyl)ethyl]-4-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]butanamide
G290-1171 Screening compound: N-[2-(1-cyclohexenyl)ethyl]-4-[5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G290-1171
N-[2-(1-cyclohexenyl)ethyl]-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

G290-1171

Molecular Formula

C24H27N3O2S (C24 H27 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCCN(c(cccc1)c1Sc1ncccc11)C1=O)NCCC1=CCCCC1

InChI

InChI=1S/C24H27N3O2S/c28-22(25-16-14-18-8-2-1-3-9-18)13-7-17-27-20-11-4-5-12-21(20)30-23-19(24(27)29)10-6-15-26-23/h4-6,8,10-12,15H,1-3,7,9,13-14,16-17H2,(H,25,28)

InChI Key

AGEUDWUPCJFXIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14995356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.354

Distribution Coefficient, logD

3.354

Water Solubility, LogSw

-3.82

Polar Surface Area

50.937

Acid Dissociation Constant (pKa)

15.05

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

G290-1171 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G290-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G290-1171?
Check Price and Availability of G290-1171, 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 G290-1171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G290-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G290-1171
  • 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 G290-1171 available by request