G943-0860 Screening compound: 5-bromo-N~3~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)nicotinamide

G943-0860 Screening compound: 5-bromo-N~3~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)nicotinamide
G943-0860 Screening compound: 5-bromo-N~3~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0860
5-bromo-N~3~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)nicotinamide

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

G943-0860

Molecular Formula

C22H18BrN3O2S (C22 H18 BrN3 O2 S)

Compound Name

5-bromo-N~3~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)nicotinamide

IUPAC name

5-bromo-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]pyridine-3-carboxamide

SMILES

CC(C)N(c(ccc(NC(c1cc(Br)cnc1)=O)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C22H18BrN3O2S/c1-13(2)26-18-8-7-16(25-21(27)14-9-15(23)12-24-11-14)10-20(18)29-19-6-4-3-5-17(19)22(26)28/h3-13H,1-2H3,(H,25,27)

InChI Key

VHJNFAMJQPUVBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.128

Distribution Coefficient, logD

5.128

Water Solubility, LogSw

-4.89

Polar Surface Area

48.091

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G943-0860 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G943-0860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0860?
Check Price and Availability of G943-0860, 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 G943-0860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0860
  • 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 G943-0860 available by request