G534-1113 Screening compound: N-ethyl-2-({1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-N-phenylacetamide

G534-1113 Screening compound: N-ethyl-2-({1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-N-phenylacetamide
G534-1113 Screening compound: N-ethyl-2-({1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G534-1113
N-ethyl-2-({1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-N-phenylacetamide

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

G534-1113

Molecular Formula

C26H28N4O2S (C26 H28 N4 O2 S)

Compound Name

N-ethyl-2-({1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-N-phenylacetamide

IUPAC name

N-ethyl-2-({1-[(4-methoxy-35-dimethylpyridin-2-yl)methyl]-1H-13-benzodiazol-2-yl}sulfanyl)-N-phenylacetamide

SMILES

CCN(C(CSc1nc(cccc2)c2n1Cc1ncc(C)c(OC)c1C)=O)c1ccccc1

InChI

InChI=1S/C26H28N4O2S/c1-5-29(20-11-7-6-8-12-20)24(31)17-33-26-28-21-13-9-10-14-23(21)30(26)16-22-19(3)25(32-4)18(2)15-27-22/h6-15H,5,16-17H2,1-4H3

InChI Key

DCOXMMFMRKMJBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.283

Distribution Coefficient, logD

3.903

Water Solubility, LogSw

-4.99

Polar Surface Area

43.689

Acid Dissociation Constant (pKa)

18.88

Base Dissociation Constant (pKb)

8.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

G534-1113 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G534-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G534-1113?
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What is the minimum amount of G534-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G534-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G534-1113
  • 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 G534-1113 available by request