G943-0809 Screening compound: N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1-cyclobutanecarboxamide

G943-0809 Screening compound: N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1-cyclobutanecarboxamide
G943-0809 Screening compound: N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1-cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0809
N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1-cyclobutanecarboxamide

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

G943-0809

Molecular Formula

C21H22N2O2S (C21 H22 N2 O2 S)

Compound Name

N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1-cyclobutanecarboxamide

IUPAC name

N-[10-oxo-9-(propan-2-yl)-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaen-5-yl]cyclobutanecarboxamide

SMILES

CC(C)N(c(ccc(NC(C1CCC1)=O)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C21H22N2O2S/c1-13(2)23-17-11-10-15(22-20(24)14-6-5-7-14)12-19(17)26-18-9-4-3-8-16(18)21(23)25/h3-4,8-14H,5-7H2,1-2H3,(H,22,24)

InChI Key

WTMGBRKMOFQIBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.846

Distribution Coefficient, logD

3.846

Water Solubility, LogSw

-3.95

Polar Surface Area

39.007

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G943-0809 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 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 G943-0809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0809?
Check Price and Availability of G943-0809, 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 G943-0809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0809
  • 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 G943-0809 available by request