G796-1533 Screening compound: 1-(6-bromo-1H-1,3-benzodiazol-2-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-3-carboxamide

G796-1533 Screening compound: 1-(6-bromo-1H-1,3-benzodiazol-2-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-3-carboxamide
G796-1533 Screening compound: 1-(6-bromo-1H-1,3-benzodiazol-2-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G796-1533
1-(6-bromo-1H-1,3-benzodiazol-2-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-3-carboxamide

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

G796-1533

Molecular Formula

C22H25BrN4OS (C22 H25 BrN4 OS)

Compound Name

1-(6-bromo-1H-1,3-benzodiazol-2-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-3-carboxamide

IUPAC name

1-(6-bromo-1H-13-benzodiazol-2-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-3-carboxamide

SMILES

CSc1ccc(CCNC(C(CCC2)CN2c2nc(ccc(Br)c3)c3[nH]2)=O)cc1

InChI

InChI=1S/C22H25BrN4OS/c1-29-18-7-4-15(5-8-18)10-11-24-21(28)16-3-2-12-27(14-16)22-25-19-9-6-17(23)13-20(19)26-22/h4-9,13,16H,2-3,10-12,14H2,1H3,(H,24,28)(H,25,26)/t16-/m0/s1

InChI Key

YUWVYKOWCRFWOH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15036701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.411

Distribution Coefficient, logD

4.362

Water Solubility, LogSw

-4.26

Polar Surface Area

46.097

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

G796-1533 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Proteases

References: we are preparing a list of scientific research reports with G796-1533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G796-1533?
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What is the minimum amount of G796-1533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G796-1533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G796-1533
  • 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 G796-1533 available by request